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

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C24H27N3O6S MolecularWeight: 485.55268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)COC2=CC=C(C=C2)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H27N3O6S/c1-18-6-9-20(14-22(18)34(30,31)27-12-4-2-3-5-13-27)26-23(28)16-33-24(29)17-32-21-10-7-19(15-25)8-11-21/h6-11,14H,2-5,12-13,16-17H2,1H3,(H,26,28)