2-(4-methoxyphenyl)sulfanyl-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(4-methoxyphenyl)sulfanyl-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-[(4-methoxyphenyl)thio]-1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-[(4-methoxyphenyl)thio]-1-[4-(4-methylpiperazino)sulfonylpiperazino]propan-1-one Formula: C19H30N4O4S2 MolecularWeight: 442.5959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCN(CC2)C)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)N2CCN(CC2)C)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H30N4O4S2/c1-16(28-18-6-4-17(27-3)5-7-18)19(24)21-10-14-23(15-11-21)29(25,26)22-12-8-20(2)9-13-22/h4-7,16H,8-15H2,1-3H3