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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-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/c1-13-6-11-16-18(12-13)28-20(21-16)14-7-9-15(10-8-14)22-29(26,27)19-5-3-2-4-17(19)23(24)25/h2-12,22H,1H3