3,3-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanoyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-(4-tosyl-1,4-diazepan-1-yl)propanoyl]-1H-quinoxalin-2-one Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

InChI

InChI=1S/C25H32N4O4S/c1-18-10-12-20(13-11-18)34(32,33)28-15-7-14-27(16-17-28)19(2)23(30)29-22-9-6-5-8-21(22)26-24(31)25(29,3)4/h5-6,8-13,19H,7,14-17H2,1-4H3,(H,26,31)