1-(azepan-1-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(azepan-1-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(azepan-1-yl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(1-azepanyl)-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(azepan-1-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(azepan-1-yl)-4-(4-tosylpiperazino)butane-1,4-dione Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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