methyl 4-(hexylcarbamoyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-(hexylcarbamoyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-(hexylcarbamoyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-[(hexylamino)-oxomethyl]-1-(4-methoxyphenyl)sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(hexylcarbamoyl)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-(hexylcarbamoyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O6S/c1-4-5-6-7-12-21-20(25)22-13-14-23(18(15-22)19(24)29-3)30(26,27)17-10-8-16(28-2)9-11-17/h8-11,18H,4-7,12-15H2,1-3H3,(H,21,25)