(2-oxidanylidene-2-phenylazanyl-ethyl) 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-15-6-5-11-24(13-15)30(27,28)19-12-16(9-10-18(19)22)21(26)29-14-20(25)23-17-7-3-2-4-8-17/h2-4,7-10,12,15H,5-6,11,13-14H2,1H3,(H,23,25)