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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)S(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

Isomeric SMILES

CN(CCO)S(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O5S/c1-20(12-13-22)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/h4-5,8-9,22H,2-3,6-7,10-13H2,1H3