[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl] 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid [2-keto-2-(4-tosylpiperazino)ethyl] ester Formula: C27H35N3O8S2 MolecularWeight: 593.7121

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C)OC

InChI

InChI=1S/C27H35N3O8S2/c1-20-7-10-23(11-8-20)39(33,34)29-16-14-28(15-17-29)26(31)19-38-27(32)22-9-12-24(37-3)25(18-22)40(35,36)30-13-5-4-6-21(30)2/h7-12,18,21H,4-6,13-17,19H2,1-3H3