1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]isonipecotamide Formula: C22H29N5O6S MolecularWeight: 491.56056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C22H29N5O6S/c1-14-4-5-19(33-3)17(10-14)25-20(28)12-24-22(30)15-6-8-27(9-7-15)34(31,32)16-11-18(21(23)29)26(2)13-16/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H2,23,29)(H,24,30)(H,25,28)