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

Systemtic Name: 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1,3-benzothiazol-6-amine Openeye Name: 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-1,3-benzothiazol-6-amine CAS Name: 2-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-1,3-benzothiazol-6-amine IUPAC Name: 2-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-1,3-benzothiazol-6-amine Traditional Name: (2-methyl-1,3-benzothiazol-6-yl)-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S2/c1-13-20-17-5-3-14(11-19(17)29-13)21-16-6-4-15(12-18(16)24(25)26)30(27,28)23-9-7-22(2)8-10-23/h3-6,11-12,21H,7-10H2,1-2H3