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

Systemtic Name: ethyl 2-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-methyl-3-[[1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-methyl-3-[[1-(3-phenylpropylsulfonyl)nipecotoyl]amino]benzoic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H32N2O5S/c1-3-32-25(29)22-14-7-15-23(19(22)2)26-24(28)21-13-8-16-27(18-21)33(30,31)17-9-12-20-10-5-4-6-11-20/h4-7,10-11,14-15,21H,3,8-9,12-13,16-18H2,1-2H3,(H,26,28)