3-(azepan-1-yl)-N-(2-hydroxyethyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(2-hydroxyethyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2-hydroxyethyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(2-hydroxyethyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(2-hydroxyethyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(2-hydroxyethyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C18H22N2O5S MolecularWeight: 378.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCCO

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCCO

InChI

InChI=1S/C18H22N2O5S/c21-12-9-19-26(24,25)18-15(20-10-5-1-2-6-11-20)16(22)13-7-3-4-8-14(13)17(18)23/h3-4,7-8,19,21H,1-2,5-6,9-12H2