4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methylpiperazino)sulfonylpiperazino]butan-1-one Formula: C20H29N5O3S2 MolecularWeight: 451.60596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H29N5O3S2/c1-22-9-13-24(14-10-22)30(27,28)25-15-11-23(12-16-25)20(26)8-4-7-19-21-17-5-2-3-6-18(17)29-19/h2-3,5-6H,4,7-16H2,1H3