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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-4-nitrophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-4-nitrophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-4-nitro-phenyl]-4-methyl-benzenesulfonamide Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O4S2/c1-13-6-9-15(10-7-13)29(26,27)22-17-11-8-14(23(24)25)12-16(17)20-21-18-4-2-3-5-19(18)28-20/h2-12,22H,1H3