1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(2-chloranyl-4,6-dimethyl-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(2-chloranyl-4,6-dimethyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(2-chloro-4,6-dimethyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-(2-chloro-4,6-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(2-chloro-4,6-dimethyl-phenyl)isonipecotamide Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O4S/c1-12-8-13(2)18(16(21)9-12)23-20(27)14-4-6-25(7-5-14)30(28,29)15-10-17(19(22)26)24(3)11-15/h8-11,14H,4-7H2,1-3H3,(H2,22,26)(H,23,27)