methyl 4-[[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]methyl]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C

InChI

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