N-[3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H15N3O4S3 MolecularWeight: 457.5458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O4S3/c1-13-9-10-16(12-18(13)23(24)25)30(26,27)22-14-5-4-6-15(11-14)28-20-21-17-7-2-3-8-19(17)29-20/h2-12,22H,1H3