methyl 3-[(4-bromophenyl)sulfonylamino]-4-piperidin-1-yl-benzoate

Systemtic Name: methyl 3-[(4-bromophenyl)sulfonylamino]-4-piperidin-1-yl-benzoate Openeye Name: methyl 3-[(4-bromophenyl)sulfonylamino]-4-(1-piperidyl)benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]-4-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromophenyl)sulfonylamino]-4-piperidin-1-ylbenzoate Traditional Name: 3-(brosylamino)-4-piperidino-benzoic acid methyl ester Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCCC2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-26-19(23)14-5-10-18(22-11-3-2-4-12-22)17(13-14)21-27(24,25)16-8-6-15(20)7-9-16/h5-10,13,21H,2-4,11-12H2,1H3