butyl 4-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid butyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O5S/c1-2-3-19-33-26(30)23-11-13-24(14-12-23)27-25(29)22-15-17-28(18-16-22)34(31,32)20-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-14,22H,2-3,7,10,15-20H2,1H3,(H,27,29)