methyl 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: methyl 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: methyl 4-[[2-(azepan-1-yl)-2-oxo-ethyl]-(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(azepan-1-yl)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]-tosyl-amino]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O5S/c1-18-7-13-21(14-8-18)31(28,29)25(17-22(26)24-15-5-3-4-6-16-24)20-11-9-19(10-12-20)23(27)30-2/h7-14H,3-6,15-17H2,1-2H3