4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-chloranyl-3-methyl-phenoxy)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-chloro-3-methylphenoxy)-1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-chloro-3-methylphenoxy)-1-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-1-[4-(4-methylpiperazino)sulfonylpiperazino]butan-1-one Formula: C20H31ClN4O4S MolecularWeight: 459.00254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C)Cl

InChI

InChI=1S/C20H31ClN4O4S/c1-17-16-18(5-6-19(17)21)29-15-3-4-20(26)23-9-13-25(14-10-23)30(27,28)24-11-7-22(2)8-12-24/h5-6,16H,3-4,7-15H2,1-2H3