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

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23BrN2O5S/c1-15(20(25)23-18-10-8-17(22)9-11-18)29-21(26)16-6-5-7-19(14-16)30(27,28)24-12-3-2-4-13-24/h5-11,14-15H,2-4,12-13H2,1H3,(H,23,25)