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

Systemtic Name: methyl 4-[cyclopropylmethyl(propyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-[cyclopropylmethyl(propyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-[[cyclopropylmethyl(propyl)amino]-oxomethyl]-1-(4-methoxyphenyl)sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[cyclopropylmethyl(propyl)carbamoyl]-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-[cyclopropylmethyl(propyl)carbamoyl]-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)N2CCN(C(C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCN(CC1CC1)C(=O)N2CCN(C(C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H31N3O6S/c1-4-11-22(14-16-5-6-16)21(26)23-12-13-24(19(15-23)20(25)30-3)31(27,28)18-9-7-17(29-2)8-10-18/h7-10,16,19H,4-6,11-15H2,1-3H3