N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylamino)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylamino)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylamino)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylamino)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylamino)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(diethylamino)-1,4-diketo-N-piperonyl-naphthalene-2-sulfonamide Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)C1=C(C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O6S/c1-3-24(4-2)19-20(25)15-7-5-6-8-16(15)21(26)22(19)31(27,28)23-12-14-9-10-17-18(11-14)30-13-29-17/h5-11,23H,3-4,12-13H2,1-2H3