[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-16-7-6-12-26(15-16)32(29,30)21-13-19(10-11-20(21)24)23(28)31-17(2)22(27)25-14-18-8-4-3-5-9-18/h3-5,8-11,13,16-17H,6-7,12,14-15H2,1-2H3,(H,25,27)