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

Systemtic Name: methyl 4-[(1-methyl-4-piperidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[[1-methyl-4-(1-piperidylsulfonyl)pyrrole-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-methyl-4-(1-piperidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 4-[(1-methyl-4-piperidinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid methyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23N3O5S/c1-21-13-16(28(25,26)22-10-4-3-5-11-22)12-17(21)18(23)20-15-8-6-14(7-9-15)19(24)27-2/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,23)