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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C20H15N3O4S2 MolecularWeight: 425.4808

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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=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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