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

Systemtic Name: methyl 4-[hexyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-[hexyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-[[hexyl(methyl)amino]-oxomethyl]-1-(4-methoxyphenyl)sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[hexyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-[hexyl(methyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C21H33N3O6S MolecularWeight: 455.56822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCN(C)C(=O)N1CCN(C(C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H33N3O6S/c1-5-6-7-8-13-22(2)21(26)23-14-15-24(19(16-23)20(25)30-4)31(27,28)18-11-9-17(29-3)10-12-18/h9-12,19H,5-8,13-16H2,1-4H3