methyl 6-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]hexanoic acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-16-8-9-19(15-17(16)2)29(26,27)23-13-10-18(11-14-23)21(25)22-12-6-4-5-7-20(24)28-3/h8-9,15,18H,4-7,10-14H2,1-3H3,(H,22,25)