tert-butyl (NE)-N-[[3-[[(4-methylpiperidin-1-yl)carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[[3-[[(4-methylpiperidin-1-yl)carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[(tert-butoxycarbonylamino)-[3-[[(4-methylpiperidine-1-carbonyl)-(2-naphthylsulfonylamino)amino]methyl]-1-piperidyl]methylene]carbamate CAS Name: (NE)-N-[[3-[[[(4-methyl-1-piperidinyl)-oxomethyl]-(2-naphthalenylsulfonylamino)amino]methyl]-1-piperidinyl]-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[[3-[[(4-methylpiperidine-1-carbonyl)-(naphthalen-2-ylsulfonylamino)amino]methyl]piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[(tert-butoxycarbonylamino)-[3-[[(4-methylpiperidine-1-carbonyl)-(2-naphthylsulfonylamino)amino]methyl]piperidino]methylene]carbamic acid tert-butyl ester Formula: C34H50N6O7S MolecularWeight: 686.8618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)N(CC2CCCN(C2)C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)N(CC2CCCN(C2)/C(=N/C(=O)OC(C)(C)C)/NC(=O)OC(C)(C)C)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C34H50N6O7S/c1-24-16-19-38(20-17-24)32(43)40(37-48(44,45)28-15-14-26-12-8-9-13-27(26)21-28)23-25-11-10-18-39(22-25)29(35-30(41)46-33(2,3)4)36-31(42)47-34(5,6)7/h8-9,12-15,21,24-25,37H,10-11,16-20,22-23H2,1-7H3,(H,35,36,41,42)