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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-2-thiophenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)thiophen-2-yl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-2-thienyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C18H13N3O4S3 MolecularWeight: 431.50852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CS2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CS2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S3/c1-11-6-7-12(10-15(11)21(22)23)28(24,25)20-18-13(8-9-26-18)17-19-14-4-2-3-5-16(14)27-17/h2-10,20H,1H3