N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]nipecotamide 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)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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