[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C23H27BrN2O5S MolecularWeight: 523.43988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)Br)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H27BrN2O5S/c1-17-6-11-20(15-21(17)32(29,30)26-12-4-2-3-5-13-26)25-22(27)16-31-23(28)14-18-7-9-19(24)10-8-18/h6-11,15H,2-5,12-14,16H2,1H3,(H,25,27)