methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylpiperidine-2-carboxylate Openeye Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]piperidine-2-carboxylate CAS Name: 1-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-2-carboxylate Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]pipecolinic acid methyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCCC3C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)N3CCCCC3C(=O)OC

InChI

InChI=1S/C21H30N2O6S/c1-28-19-11-10-16(30(26,27)22-12-6-3-4-7-13-22)15-17(19)20(24)23-14-8-5-9-18(23)21(25)29-2/h10-11,15,18H,3-9,12-14H2,1-2H3