N-[3-[[2-(cyclopropylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

Systemtic Name: N-[3-[[2-(cyclopropylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[3-[[[2-(cyclopropylamino)acetyl]amino]-pent-4-ynoyl-amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-4-methoxy-benzenesulfonamide CAS Name: N-[3-[[[2-(cyclopropylamino)-1-oxoethyl]amino]-(1-oxopent-4-ynyl)amino]-2-hydroxy-4-phenylbutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[3-[[[2-(cyclopropylamino)acetyl]amino]-pent-4-ynoylamino]-2-hydroxy-4-phenylbutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[3-[[[2-(cyclopropylamino)acetyl]amino]-pent-4-ynoyl-amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-4-methoxy-benzenesulfonamide Formula: C31H42N4O6S MolecularWeight: 598.75338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C(=O)CCC#C)NC(=O)CNC2CC2)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C(=O)CCC#C)NC(=O)CNC2CC2)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C31H42N4O6S/c1-5-6-12-31(38)35(33-30(37)20-32-25-13-14-25)28(19-24-10-8-7-9-11-24)29(36)22-34(21-23(2)3)42(39,40)27-17-15-26(41-4)16-18-27/h1,7-11,15-18,23,25,28-29,32,36H,6,12-14,19-22H2,2-4H3,(H,33,37)