1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-(3-methylphenoxy)butan-1-one Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C23H30N2O4S/c1-18-6-4-7-21(16-18)29-15-5-8-23(26)24-11-13-25(14-12-24)30(27,28)22-17-19(2)9-10-20(22)3/h4,6-7,9-10,16-17H,5,8,11-15H2,1-3H3