N-(2-bromanyl-4-methyl-phenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-4-(1-piperidylsulfonyl)-1H-pyrrole-2-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-4-(1-piperidinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-4-piperidinosulfonyl-1H-pyrrole-2-carboxamide Formula: C17H20BrN3O3S MolecularWeight: 426.328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C17H20BrN3O3S/c1-12-5-6-15(14(18)9-12)20-17(22)16-10-13(11-19-16)25(23,24)21-7-3-2-4-8-21/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,20,22)