ethyl 3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]benzoate CAS Name: 3-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 3-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O5S/c1-3-28-20(25)15-8-7-9-16(12-15)21-19(24)18-13-17(14-22(18)2)29(26,27)23-10-5-4-6-11-23/h7-9,12-14H,3-6,10-11H2,1-2H3,(H,21,24)