N1-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-(isobutylsulfonylamino)amino]-2-hydroxy-propyl]-N3,N3-dipropyl-5-prop-1-ynyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-(2-methylpropylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropyl-5-prop-1-ynylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[butyl-(isobutylsulfonylamino)amino]-2-hydroxy-propyl]-N',N'-dipropyl-5-prop-1-ynyl-isophthalamide Formula: C35H52N4O5S MolecularWeight: 640.87618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C#CC)C(=O)N(CCC)CCC)O)NS(=O)(=O)CC(C)C

Isomeric SMILES

CCCCN(CC(C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)C#CC)C(=O)N(CCC)CCC)O)NS(=O)(=O)CC(C)C

InChI

InChI=1S/C35H52N4O5S/c1-7-11-20-39(37-45(43,44)26-27(5)6)25-33(40)32(23-28-16-13-12-14-17-28)36-34(41)30-21-29(15-8-2)22-31(24-30)35(42)38(18-9-3)19-10-4/h12-14,16-17,21-22,24,27,32-33,37,40H,7,9-11,18-20,23,25-26H2,1-6H3,(H,36,41)