3-[(2-chlorophenyl)methylsulfonylmethyl]-7-(4-cyclohexylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one

Systemtic Name: 3-[(2-chlorophenyl)methylsulfonylmethyl]-7-(4-cyclohexylpiperazin-1-yl)carbonyl-3,4-dihydro-1H-quinoxalin-2-one Openeye Name: 3-[(2-chlorophenyl)methylsulfonylmethyl]-7-(4-cyclohexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one CAS Name: 3-[(2-chlorophenyl)methylsulfonylmethyl]-7-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3,4-dihydro-1H-quinoxalin-2-one IUPAC Name: 3-[(2-chlorophenyl)methylsulfonylmethyl]-7-(4-cyclohexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Traditional Name: 3-[(2-chlorobenzyl)sulfonylmethyl]-7-(4-cyclohexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one Formula: C27H33ClN4O4S MolecularWeight: 545.09332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CS(=O)(=O)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N4)CS(=O)(=O)CC5=CC=CC=C5Cl

InChI

InChI=1S/C27H33ClN4O4S/c28-22-9-5-4-6-20(22)17-37(35,36)18-25-26(33)30-24-16-19(10-11-23(24)29-25)27(34)32-14-12-31(13-15-32)21-7-2-1-3-8-21/h4-6,9-11,16,21,25,29H,1-3,7-8,12-15,17-18H2,(H,30,33)