phenethyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(1-azepanylsulfonyl)anilino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(azepan-1-ylsulfonyl)anilino]-4-keto-butyric acid phenethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c27-23(14-15-24(28)31-19-16-20-8-4-3-5-9-20)25-21-10-12-22(13-11-21)32(29,30)26-17-6-1-2-7-18-26/h3-5,8-13H,1-2,6-7,14-19H2,(H,25,27)