4-(4-methoxyphenyl)sulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(4-methoxyphenyl)sulfonyl-1-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]butan-1-one Formula: C22H24N4O6S2 MolecularWeight: 504.57916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S2/c1-32-17-5-7-18(8-6-17)34(30,31)14-2-3-21(27)24-10-12-25(13-11-24)22-23-19-9-4-16(26(28)29)15-20(19)33-22/h4-9,15H,2-3,10-14H2,1H3