N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-2-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]piperidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]piperidine-2-carboxamide Traditional Name: 1-besyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]pipecolinamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O4S/c1-15-13-16(22)10-11-18(15)24-20(26)14-23-21(27)19-9-5-6-12-25(19)30(28,29)17-7-3-2-4-8-17/h2-4,7-8,10-11,13,19H,5-6,9,12,14H2,1H3,(H,23,27)(H,24,26)