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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(4-bromanyl-3-methyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C19H23BrN4O4S MolecularWeight: 483.37932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)Br

InChI

InChI=1S/C19H23BrN4O4S/c1-12-9-14(3-4-16(12)20)22-19(26)13-5-7-24(8-6-13)29(27,28)15-10-17(18(21)25)23(2)11-15/h3-4,9-11,13H,5-8H2,1-2H3,(H2,21,25)(H,22,26)