[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O5S/c21-16-5-4-6-17(13-16)22-19(24)14-28-20(25)15-7-9-18(10-8-15)29(26,27)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,22,24)