[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29N3O6S/c1-17(23(29)26-21-11-9-20(10-12-21)25-18(2)28)33-24(30)19-7-13-22(14-8-19)34(31,32)27-15-5-3-4-6-16-27/h7-14,17H,3-6,15-16H2,1-2H3,(H,25,28)(H,26,29)/t17-/m0/s1