N-(2-chloranyl-4-methyl-phenyl)-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-chloro-4-methyl-phenyl)-1-(1-methylpyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-chloro-4-methylphenyl)-1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-methylphenyl)-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-chloro-4-methyl-phenyl)-1-(1-methylpyrrol-3-yl)sulfonyl-isonipecotamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3S/c1-13-3-4-17(16(19)11-13)20-18(23)14-5-9-22(10-6-14)26(24,25)15-7-8-21(2)12-15/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H,20,23)