4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Formula: C20H15N3O5S3 MolecularWeight: 473.5452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5S3/c1-28-14-8-6-13(7-9-14)22-31(26,27)15-10-11-19(17(12-15)23(24)25)30-20-21-16-4-2-3-5-18(16)29-20/h2-12,22H,1H3