N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 1,3-benzothiazol-2-ylmethyl-methyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C20H23N5O4S2 MolecularWeight: 461.55772

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S2/c1-22-9-11-24(12-10-22)31(28,29)15-7-8-17(18(13-15)25(26)27)23(2)14-20-21-16-5-3-4-6-19(16)30-20/h3-8,13H,9-12,14H2,1-2H3