methyl 2-[4-[(3-bromophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-bromophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(3-bromophenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(3-bromoanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-bromophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(3-bromophenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-28-20(25)17-7-2-3-8-18(17)29(26,27)23-11-9-14(10-12-23)19(24)22-16-6-4-5-15(21)13-16/h2-8,13-14H,9-12H2,1H3,(H,22,24)