N-(3-acetamidophenyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-acetamidophenyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-acetamidophenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-acetamidophenyl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-acetamidophenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-acetamidophenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C20H25N5O5S/c1-13(26)22-15-4-3-5-16(10-15)23-20(28)14-6-8-25(9-7-14)31(29,30)17-11-18(19(21)27)24(2)12-17/h3-5,10-12,14H,6-9H2,1-2H3,(H2,21,27)(H,22,26)(H,23,28)