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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[1-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C21H26N4O6S/c1-13(15-3-4-18-19(9-15)31-12-30-18)23-21(27)14-5-7-25(8-6-14)32(28,29)16-10-17(20(22)26)24(2)11-16/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H2,22,26)(H,23,27)