1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide Openeye Name: N-(2-tert-butylphenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-tert-butylphenyl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-tert-butylphenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C22H30N4O4S/c1-22(2,3)17-7-5-6-8-18(17)24-21(28)15-9-11-26(12-10-15)31(29,30)16-13-19(20(23)27)25(4)14-16/h5-8,13-15H,9-12H2,1-4H3,(H2,23,27)(H,24,28)