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

Systemtic Name: 3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N-(2-oxidanylpropyl)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2-hydroxypropyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(2-hydroxypropyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(2-hydroxypropyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(2-hydroxypropyl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNS(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3)O

Isomeric SMILES

CC(CNS(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3)O

InChI

InChI=1S/C19H24N2O5S/c1-13(22)12-20-27(25,26)19-16(21-10-6-2-3-7-11-21)17(23)14-8-4-5-9-15(14)18(19)24/h4-5,8-9,13,20,22H,2-3,6-7,10-12H2,1H3