4-methoxy-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[3-[(E)-(1-methyl-2-azepanylidene)amino]sulfonylphenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]-3-nitro-benzenesulfonamide Formula: C20H24N4O7S2 MolecularWeight: 496.55716

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCCC1=NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN\1CCCCC/C1=N\S(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7S2/c1-23-12-5-3-4-9-20(23)22-33(29,30)16-8-6-7-15(13-16)21-32(27,28)17-10-11-19(31-2)18(14-17)24(25)26/h6-8,10-11,13-14,21H,3-5,9,12H2,1-2H3/b22-20+