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

Systemtic Name: methyl 4-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[oxo-[1-(3-phenylpropylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[[1-(3-phenylpropylsulfonyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-18-10-11-21(24(28)31-2)17-22(18)25-23(27)20-12-14-26(15-13-20)32(29,30)16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,17,20H,6,9,12-16H2,1-2H3,(H,25,27)