methyl 4-[[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]methyl]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C23H28N2O5S/c1-16-4-9-21(14-17(16)2)31(28,29)25-12-10-19(11-13-25)22(26)24-15-18-5-7-20(8-6-18)23(27)30-3/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,26)