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

Systemtic Name: propyl 4-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: propyl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[(1-besylisonipecotoyl)amino]benzoic acid propyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-2-16-29-22(26)18-8-10-19(11-9-18)23-21(25)17-12-14-24(15-13-17)30(27,28)20-6-4-3-5-7-20/h3-11,17H,2,12-16H2,1H3,(H,23,25)