methyl 4-(azepan-1-ylcarbonyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-(azepan-1-ylcarbonyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-(azepane-1-carbonyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-[1-azepanyl(oxo)methyl]-1-(4-methoxyphenyl)sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(azepane-1-carbonyl)-1-(4-methoxyphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 4-(azepane-1-carbonyl)-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)OC)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)OC)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O6S/c1-28-16-7-9-17(10-8-16)30(26,27)23-14-13-22(15-18(23)19(24)29-2)20(25)21-11-5-3-4-6-12-21/h7-10,18H,3-6,11-15H2,1-2H3