N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]ethyl]-3-nitro-benzenesulfonamide Formula: C17H17N3O5S3 MolecularWeight: 439.52898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCCNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5S3/c1-2-25-13-6-7-15-16(11-13)27-17(19-15)26-9-8-18-28(23,24)14-5-3-4-12(10-14)20(21)22/h3-7,10-11,18H,2,8-9H2,1H3