methyl 4-[[4-[(3-methylsulfonylphenyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(3-methylsulfonylphenyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-methylsulfonylanilino)-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-(3-methylsulfonylanilino)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methylsulfonylanilino)piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(3-mesylanilino)piperidino]methyl]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NC3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)NC3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S/c1-27-21(24)17-8-6-16(7-9-17)15-23-12-10-18(11-13-23)22-19-4-3-5-20(14-19)28(2,25)26/h3-9,14,18,22H,10-13,15H2,1-2H3