methyl 2-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H24N4O6S/c1-23-12-14(11-17(23)18(21)25)31(28,29)24-9-7-13(8-10-24)19(26)22-16-6-4-3-5-15(16)20(27)30-2/h3-6,11-13H,7-10H2,1-2H3,(H2,21,25)(H,22,26)