1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-piperidin-1-yl-butane-1,4-dione

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-piperidin-1-yl-butane-1,4-dione Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(1-piperidyl)butane-1,4-dione CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-4-(1-piperidinyl)butane-1,4-dione IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-piperidin-1-ylbutane-1,4-dione Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-4-piperidino-butane-1,4-dione Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-17-6-7-18(2)19(16-17)29(27,28)24-14-12-23(13-15-24)21(26)9-8-20(25)22-10-4-3-5-11-22/h6-7,16H,3-5,8-15H2,1-2H3