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

Systemtic Name: 4-methoxy-N-[3-[[2-(2-methoxyethylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: N-[2-hydroxy-3-[[[2-(2-methoxyethylamino)acetyl]amino]-pent-4-ynoyl-amino]-4-phenyl-butyl]-N-isobutyl-4-methoxy-benzenesulfonamide CAS Name: N-[2-hydroxy-3-[[[2-(2-methoxyethylamino)-1-oxoethyl]amino]-(1-oxopent-4-ynyl)amino]-4-phenylbutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: N-[2-hydroxy-3-[[[2-(2-methoxyethylamino)acetyl]amino]-pent-4-ynoylamino]-4-phenylbutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide Traditional Name: N-[2-hydroxy-3-[[[2-(2-methoxyethylamino)acetyl]amino]-pent-4-ynoyl-amino]-4-phenyl-butyl]-N-isobutyl-4-methoxy-benzenesulfonamide Formula: C31H44N4O7S MolecularWeight: 616.76866

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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)CNCCOC)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C(=O)CCC#C)NC(=O)CNCCOC)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C31H44N4O7S/c1-6-7-13-31(38)35(33-30(37)21-32-18-19-41-4)28(20-25-11-9-8-10-12-25)29(36)23-34(22-24(2)3)43(39,40)27-16-14-26(42-5)15-17-27/h1,8-12,14-17,24,28-29,32,36H,7,13,18-23H2,2-5H3,(H,33,37)