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

Systemtic Name: N-[2-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxo-1-(p-tolylsulfonyl)ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-(4-o-toluoylpiperazino)-1-tosyl-ethyl]thiophene-2-carboxamide Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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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)C3=CC=CC=C3C)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C)NC(=O)C4=CC=CS4

InChI

InChI=1S/C26H27N3O5S2/c1-18-9-11-20(12-10-18)36(33,34)24(27-23(30)22-8-5-17-35-22)26(32)29-15-13-28(14-16-29)25(31)21-7-4-3-6-19(21)2/h3-12,17,24H,13-16H2,1-2H3,(H,27,30)