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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide Openeye Name: N-[1-(2-bromophenyl)ethyl]-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(2-bromophenyl)ethyl]-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(2-bromophenyl)ethyl]-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-bromophenyl)ethyl]-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C20H25BrN4O4S MolecularWeight: 497.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C1=CC=CC=C1Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C20H25BrN4O4S/c1-13(16-5-3-4-6-17(16)21)23-20(27)14-7-9-25(10-8-14)30(28,29)15-11-18(19(22)26)24(2)12-15/h3-6,11-14H,7-10H2,1-2H3,(H2,22,26)(H,23,27)