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

Systemtic Name: N-[2-[4-(4-ethoxyphenyl)carbonylpiperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxidanylidene-ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-oxo-1-(p-tolylsulfonyl)ethyl]thiophene-2-carboxamide CAS Name: N-[2-[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperazinyl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(4-ethoxybenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(4-ethoxybenzoyl)piperazino]-2-keto-1-tosyl-ethyl]thiophene-2-carboxamide Formula: C27H29N3O6S2 MolecularWeight: 555.66566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(NC(=O)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C(NC(=O)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H29N3O6S2/c1-3-36-21-10-8-20(9-11-21)26(32)29-14-16-30(17-15-29)27(33)25(28-24(31)23-5-4-18-37-23)38(34,35)22-12-6-19(2)7-13-22/h4-13,18,25H,3,14-17H2,1-2H3,(H,28,31)