N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-2-[4-(2-phenoxyethanoyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-2-[4-(2-phenoxyethanoyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]-1-(p-tolylsulfonyl)ethyl]thiophene-2-carboxamide CAS Name: N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[1-(4-methylphenyl)sulfonyl-2-oxo-2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[4-(2-phenoxyacetyl)piperazino]-1-tosyl-ethyl]thiophene-2-carboxamide Formula: C26H27N3O6S2 MolecularWeight: 541.63908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)N2CCN(CC2)C(=O)COC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N3O6S2/c1-19-9-11-21(12-10-19)37(33,34)25(27-24(31)22-8-5-17-36-22)26(32)29-15-13-28(14-16-29)23(30)18-35-20-6-3-2-4-7-20/h2-12,17,25H,13-16,18H2,1H3,(H,27,31)