methyl 1-(4-methoxyphenyl)sulfonyl-4-[methyl-(phenylmethyl)carbamoyl]piperazine-2-carboxylate

Systemtic Name: methyl 1-(4-methoxyphenyl)sulfonyl-4-[methyl-(phenylmethyl)carbamoyl]piperazine-2-carboxylate Openeye Name: methyl 4-[benzyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[[methyl-(phenylmethyl)amino]-oxomethyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-[benzyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)N2CCN(C(C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)N2CCN(C(C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H27N3O6S/c1-23(15-17-7-5-4-6-8-17)22(27)24-13-14-25(20(16-24)21(26)31-3)32(28,29)19-11-9-18(30-2)10-12-19/h4-12,20H,13-16H2,1-3H3