methyl 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-(1-azepanylsulfonyl)-4-methylphenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-benzoyl]isonipecotic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-16-7-8-18(20(24)22-13-9-17(10-14-22)21(25)28-2)15-19(16)29(26,27)23-11-5-3-4-6-12-23/h7-8,15,17H,3-6,9-14H2,1-2H3