N-(2-bromophenyl)-N-[(1S)-2-(cyanomethyl)cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-(2-bromophenyl)-N-[(1S)-2-(cyanomethyl)cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide Openeye Name: N-(2-bromophenyl)-N-[(1S)-2-(cyanomethyl)cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide CAS Name: N-(2-bromophenyl)-N-[(1S)-2-(cyanomethyl)-1-cyclohex-2-enyl]-4-methylbenzenesulfonamide IUPAC Name: N-(2-bromophenyl)-N-[(1S)-2-(cyanomethyl)cyclohex-2-en-1-yl]-4-methylbenzenesulfonamide Traditional Name: N-(2-bromophenyl)-N-[(1S)-2-(cyanomethyl)cyclohex-2-en-1-yl]-4-methyl-benzenesulfonamide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C2CCCC=C2CC#N)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N([C@H]2CCCC=C2CC#N)C3=CC=CC=C3Br

InChI

InChI=1S/C21H21BrN2O2S/c1-16-10-12-18(13-11-16)27(25,26)24(21-9-5-3-7-19(21)22)20-8-4-2-6-17(20)14-15-23/h3,5-7,9-13,20H,2,4,8,14H2,1H3/t20-/m0/s1