N-[1,4-bis(oxidanylidene)butan-2-yl]-5-chloranyl-6,7-dimethoxy-naphthalene-2-sulfonamide

Systemtic Name: N-[1,4-bis(oxidanylidene)butan-2-yl]-5-chloranyl-6,7-dimethoxy-naphthalene-2-sulfonamide Openeye Name: 5-chloro-N-(1-formyl-3-oxo-propyl)-6,7-dimethoxy-naphthalene-2-sulfonamide CAS Name: 5-chloro-N-(1,4-dioxobutan-2-yl)-6,7-dimethoxy-2-naphthalenesulfonamide IUPAC Name: 5-chloro-N-(1,4-dioxobutan-2-yl)-6,7-dimethoxynaphthalene-2-sulfonamide Traditional Name: 5-chloro-N-(1-formyl-3-keto-propyl)-6,7-dimethoxy-naphthalene-2-sulfonamide Formula: C16H16ClNO6S MolecularWeight: 385.81934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=CC(=CC2=C1)S(=O)(=O)NC(CC=O)C=O)Cl)OC

Isomeric SMILES

COC1=C(C(=C2C=CC(=CC2=C1)S(=O)(=O)NC(CC=O)C=O)Cl)OC

InChI

InChI=1S/C16H16ClNO6S/c1-23-14-8-10-7-12(3-4-13(10)15(17)16(14)24-2)25(21,22)18-11(9-20)5-6-19/h3-4,6-9,11,18H,5H2,1-2H3