N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-3,4-dimethoxy-benzenesulfonamide Formula: C17H18N2O4S3 MolecularWeight: 410.53082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C17H18N2O4S3/c1-22-14-8-7-12(11-15(14)23-2)26(20,21)18-9-10-24-17-19-13-5-3-4-6-16(13)25-17/h3-8,11,18H,9-10H2,1-2H3