1-(azepan-1-yl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(azepan-1-yl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(azepan-1-yl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(1-azepanyl)-4-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(azepan-1-yl)-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(azepan-1-yl)-4-(4-mesitylsulfonylpiperazino)butane-1,4-dione Formula: C23H35N3O4S MolecularWeight: 449.6067

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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)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCCCCC3)C

InChI

InChI=1S/C23H35N3O4S/c1-18-16-19(2)23(20(3)17-18)31(29,30)26-14-12-25(13-15-26)22(28)9-8-21(27)24-10-6-4-5-7-11-24/h16-17H,4-15H2,1-3H3