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

Systemtic Name: butyl 4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[(1-besylisonipecotoyl)amino]benzoic acid butyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-2-3-17-30-23(27)19-9-11-20(12-10-19)24-22(26)18-13-15-25(16-14-18)31(28,29)21-7-5-4-6-8-21/h4-12,18H,2-3,13-17H2,1H3,(H,24,26)