2-[1-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole

Systemtic Name: 2-[1-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[1-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[1-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[1-[4-(2,3-dimethyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[1-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonylpiperazino]ethyl]-1,3-benzothiazole Formula: C21H24N4O4S2 MolecularWeight: 460.56966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCN(CC2)C(C)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S2/c1-14-12-17(25(26)27)13-20(15(14)2)31(28,29)24-10-8-23(9-11-24)16(3)21-22-18-6-4-5-7-19(18)30-21/h4-7,12-13,16H,8-11H2,1-3H3