4-(1,3-benzothiazol-2-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]butan-1-one Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N4O5S2/c1-16-9-10-17(26(28)29)15-20(16)33(30,31)25-13-11-24(12-14-25)22(27)8-4-7-21-23-18-5-2-3-6-19(18)32-21/h2-3,5-6,9-10,15H,4,7-8,11-14H2,1H3