methyl 2-[4-[(2-bromanyl-4-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(2-bromanyl-4-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(2-bromo-4-methyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(2-bromo-4-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-bromo-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(2-bromo-4-methyl-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-14-7-8-18(17(22)13-14)23-20(25)15-9-11-24(12-10-15)30(27,28)19-6-4-3-5-16(19)21(26)29-2/h3-8,13,15H,9-12H2,1-2H3,(H,23,25)