N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(3-oxidanylidene-3-piperazin-1-yl-propyl)sulfonyl-propanamide

Systemtic Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-3-(3-oxidanylidene-3-piperazin-1-yl-propyl)sulfonyl-propanamide Openeye Name: N-[1-benzyl-3-[2,3-dihydrobenzofuran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-2-methyl-3-(3-oxo-3-piperazin-1-yl-propyl)sulfonyl-propanamide CAS Name: N-[4-[2,3-dihydrobenzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-[3-oxo-3-(1-piperazinyl)propyl]sulfonylpropanamide IUPAC Name: N-[4-[2,3-dihydro-1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-2-methyl-3-(3-oxo-3-piperazin-1-ylpropyl)sulfonylpropanamide Traditional Name: N-[1-benzyl-3-[coumaran-5-ylsulfonyl(isobutyl)amino]-2-hydroxy-propyl]-3-(3-keto-3-piperazino-propyl)sulfonyl-2-methyl-propionamide Formula: C33H48N4O8S2 MolecularWeight: 692.88622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)CCC(=O)N2CCNCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C)CS(=O)(=O)CCC(=O)N2CCNCC2)O)S(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C33H48N4O8S2/c1-24(2)21-37(47(43,44)28-9-10-31-27(20-28)11-17-45-31)22-30(38)29(19-26-7-5-4-6-8-26)35-33(40)25(3)23-46(41,42)18-12-32(39)36-15-13-34-14-16-36/h4-10,20,24-25,29-30,34,38H,11-19,21-23H2,1-3H3,(H,35,40)