methyl 5-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[2-methoxy-5-(1-piperidylsulfonyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2-methoxy-5-piperidinosulfonyl-phenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H27N3O6S/c1-13-18(21(26)30-4)14(2)22-19(13)20(25)23-16-12-15(8-9-17(16)29-3)31(27,28)24-10-6-5-7-11-24/h8-9,12,22H,5-7,10-11H2,1-4H3,(H,23,25)