[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-bromo-3-(4-methylpiperidino)sulfonyl-benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C21H22Br2N2O5S MolecularWeight: 574.28278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)Br

InChI

InChI=1S/C21H22Br2N2O5S/c1-14-8-10-25(11-9-14)31(28,29)19-12-15(2-7-18(19)23)21(27)30-13-20(26)24-17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3,(H,24,26)