1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[1-(o-tolyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[1-(2-methylphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[1-(2-methylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[1-(o-tolyl)ethyl]isonipecotamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C21H28N4O4S/c1-14-6-4-5-7-18(14)15(2)23-21(27)16-8-10-25(11-9-16)30(28,29)17-12-19(20(22)26)24(3)13-17/h4-7,12-13,15-16H,8-11H2,1-3H3,(H2,22,26)(H,23,27)