methyl 4-[[1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrrol-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-pyrrol-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-methyl-4-[(4-methyl-1-piperidyl)sulfonyl]pyrrole-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-methyl-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-pyrrolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-methyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-methyl-4-(4-methylpiperidino)sulfonyl-pyrrole-2-carbonyl]amino]benzoic acid methyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H25N3O5S/c1-14-8-10-23(11-9-14)29(26,27)17-12-18(22(2)13-17)19(24)21-16-6-4-15(5-7-16)20(25)28-3/h4-7,12-14H,8-11H2,1-3H3,(H,21,24)