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

Systemtic Name: [(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [(1S)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [(1S)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O6S MolecularWeight: 473.54198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O6S/c1-16(22(28)25-19-10-6-17(7-11-19)21(24)27)32-23(29)18-8-12-20(13-9-18)33(30,31)26-14-4-2-3-5-15-26/h6-13,16H,2-5,14-15H2,1H3,(H2,24,27)(H,25,28)/t16-/m0/s1