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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]isonipecotamide 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)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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