ethyl 3-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: ethyl 3-[[1-[(3-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-[(3-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(3-bromobenzyl)sulfonylisonipecotoyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C23H27BrN2O5S MolecularWeight: 523.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H27BrN2O5S/c1-3-31-23(28)19-8-7-16(2)21(14-19)25-22(27)18-9-11-26(12-10-18)32(29,30)15-17-5-4-6-20(24)13-17/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,25,27)