methyl 4-[[(4-chlorophenyl)sulfonyl-piperidin-3-yl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-chlorophenyl)sulfonyl-piperidin-3-yl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-chlorophenyl)sulfonyl-(3-piperidyl)amino]methyl]benzoate CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(3-piperidinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-chlorophenyl)sulfonyl-piperidin-3-ylamino]methyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(3-piperidyl)amino]methyl]benzoic acid methyl ester Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCCNC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2CCCNC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-27-20(24)16-6-4-15(5-7-16)14-23(18-3-2-12-22-13-18)28(25,26)19-10-8-17(21)9-11-19/h4-11,18,22H,2-3,12-14H2,1H3