methyl 2-[4-[(3,5-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3,5-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3,5-dimethylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(3,5-dimethylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3,5-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3,5-dimethylphenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C22H26N2O5S/c1-15-12-16(2)14-18(13-15)23-21(25)17-8-10-24(11-9-17)30(27,28)20-7-5-4-6-19(20)22(26)29-3/h4-7,12-14,17H,8-11H2,1-3H3,(H,23,25)