1-(4-ethanoylpiperazin-1-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Openeye Name: 1-(4-acetylpiperazin-1-yl)-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]butane-1,4-dione CAS Name: 1-(4-acetyl-1-piperazinyl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione IUPAC Name: 1-(4-acetylpiperazin-1-yl)-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butane-1,4-dione Traditional Name: 1-(4-acetylpiperazino)-4-(4-tosyl-1,4-diazepan-1-yl)butane-1,4-dione Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H32N4O5S/c1-18-4-6-20(7-5-18)32(30,31)26-11-3-10-24(16-17-26)21(28)8-9-22(29)25-14-12-23(13-15-25)19(2)27/h4-7H,3,8-17H2,1-2H3