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

Systemtic Name: N-[3-[[2-(cyclopropylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[3-[[[2-(cyclopropylamino)acetyl]amino]-pent-4-ynoyl-amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-benzenesulfonamide CAS Name: N-[3-[[[2-(cyclopropylamino)-1-oxoethyl]amino]-(1-oxopent-4-ynyl)amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[3-[[[2-(cyclopropylamino)acetyl]amino]-pent-4-ynoylamino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[3-[[[2-(cyclopropylamino)acetyl]amino]-pent-4-ynoyl-amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-benzenesulfonamide Formula: C30H40N4O5S MolecularWeight: 568.7274

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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=CC=C3

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=CC=C3

InChI

InChI=1S/C30H40N4O5S/c1-4-5-16-30(37)34(32-29(36)20-31-25-17-18-25)27(19-24-12-8-6-9-13-24)28(35)22-33(21-23(2)3)40(38,39)26-14-10-7-11-15-26/h1,6-15,23,25,27-28,31,35H,5,16-22H2,2-3H3,(H,32,36)