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

Systemtic Name: ethyl 4-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-3-methyl-benzoate CAS Name: 4-[[[1-[(4-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]-3-methylbenzoate Traditional Name: 4-[[1-(4-bromobenzyl)sulfonylisonipecotoyl]amino]-3-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)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

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

InChI

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