butyl 4-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(4-bromophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(4-bromophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(4-bromophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-bromobenzyl)sulfonylisonipecotoyl]amino]benzoic acid butyl ester Formula: C24H29BrN2O5S MolecularWeight: 537.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrN2O5S/c1-2-3-16-32-24(29)20-6-10-22(11-7-20)26-23(28)19-12-14-27(15-13-19)33(30,31)17-18-4-8-21(25)9-5-18/h4-11,19H,2-3,12-17H2,1H3,(H,26,28)