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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C19H15N3O4S3 MolecularWeight: 445.5351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O4S3/c1-11-7-8-13(9-15(11)22(23)24)29(25,26)21-19-17(12(2)10-27-19)18-20-14-5-3-4-6-16(14)28-18/h3-10,21H,1-2H3