ethyl 4-[[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[4-(1-azepanylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-[4-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]amino]benzoic acid ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29N3O5S/c1-2-31-23(28)18-7-9-19(10-8-18)24-17-22(27)25-20-11-13-21(14-12-20)32(29,30)26-15-5-3-4-6-16-26/h7-14,24H,2-6,15-17H2,1H3,(H,25,27)