N-(2-bromanyl-4-methyl-phenyl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-(8-quinolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-(8-quinolylsulfonyl)nipecotamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)Br

InChI

InChI=1S/C22H22BrN3O3S/c1-15-9-10-19(18(23)13-15)25-22(27)17-7-4-12-26(14-17)30(28,29)20-8-2-5-16-6-3-11-24-21(16)20/h2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H,25,27)