ethyl 3-[[1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-pyrrol-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-methyl-4-(3-methylpiperidin-1-yl)sulfonyl-pyrrol-2-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-methyl-4-[(3-methyl-1-piperidyl)sulfonyl]pyrrole-2-carbonyl]amino]benzoate CAS Name: 3-[[[1-methyl-4-[(3-methyl-1-piperidinyl)sulfonyl]-2-pyrrolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carbonyl]amino]benzoate Traditional Name: 3-[[1-methyl-4-(3-methylpiperidino)sulfonyl-pyrrole-2-carbonyl]amino]benzoic acid ethyl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H27N3O5S/c1-4-29-21(26)16-8-5-9-17(11-16)22-20(25)19-12-18(14-23(19)3)30(27,28)24-10-6-7-15(2)13-24/h5,8-9,11-12,14-15H,4,6-7,10,13H2,1-3H3,(H,22,25)