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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(3-chloranyl-2,6-diethyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(3-chloro-2,6-diethyl-phenyl)piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-(3-chloro-2,6-diethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(3-chloro-2,6-diethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(3-chloro-2,6-diethyl-phenyl)isonipecotamide Formula: C22H29ClN4O4S MolecularWeight: 481.00806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C22H29ClN4O4S/c1-4-14-6-7-18(23)17(5-2)20(14)25-22(29)15-8-10-27(11-9-15)32(30,31)16-12-19(21(24)28)26(3)13-16/h6-7,12-13,15H,4-5,8-11H2,1-3H3,(H2,24,28)(H,25,29)