methyl 2-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-methyl-3-[[oxo-[1-(3-phenylpropylsulfonyl)-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-methyl-3-[[1-(3-phenylpropylsulfonyl)nipecotoyl]amino]benzoic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)C(=O)OC

InChI

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