4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C21H17N3O4S2 MolecularWeight: 439.50738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S2/c1-13-3-10-18-20(11-13)29-21(22-18)15-5-7-16(8-6-15)23-30(27,28)17-9-4-14(2)19(12-17)24(25)26/h3-12,23H,1-2H3