N-[3-[[2-(dimethylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide

Systemtic Name: N-[3-[[2-(dimethylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide Openeye Name: N-[3-[[[2-(dimethylamino)acetyl]amino]-pent-4-ynoyl-amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-benzofuran-5-sulfonamide CAS Name: N-[3-[[[2-(dimethylamino)-1-oxoethyl]amino]-(1-oxopent-4-ynyl)amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-5-benzofuransulfonamide IUPAC Name: N-[3-[[[2-(dimethylamino)acetyl]amino]-pent-4-ynoylamino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide Traditional Name: N-[3-[[[2-(dimethylamino)acetyl]amino]-pent-4-ynoyl-amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-benzofuran-5-sulfonamide Formula: C31H40N4O6S MolecularWeight: 596.7375

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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)CN(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OC=C3

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C(=O)CCC#C)NC(=O)CN(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)OC=C3

InChI

InChI=1S/C31H40N4O6S/c1-6-7-13-31(38)35(32-30(37)22-33(4)5)27(18-24-11-9-8-10-12-24)28(36)21-34(20-23(2)3)42(39,40)26-14-15-29-25(19-26)16-17-41-29/h1,8-12,14-17,19,23,27-28,36H,7,13,18,20-22H2,2-5H3,(H,32,37)