N1-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[1-benzyl-3-[butyl-(isopropylsulfonylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[4-[butyl-(propan-2-ylsulfonylamino)amino]-3-hydroxy-1-phenylbutan-2-yl]-5-ethynyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[1-benzyl-3-[butyl-(isopropylsulfonylamino)amino]-2-hydroxy-propyl]-5-ethynyl-N',N'-dipropyl-isophthalamide Formula: C33H48N4O5S MolecularWeight: 612.82302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N4O5S/c1-7-11-19-37(35-43(41,42)25(5)6)24-31(38)30(22-27-15-13-12-14-16-27)34-32(39)28-20-26(10-4)21-29(23-28)33(40)36(17-8-2)18-9-3/h4,12-16,20-21,23,25,30-31,35,38H,7-9,11,17-19,22,24H2,1-3,5-6H3,(H,34,39)