N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-cyclohexyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-cyclohexyl-ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-cyclohexyl-N-(1,1-dioxo-3-thiolanyl)acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-cyclohexyl-N-(1,1-diketothiolan-3-yl)acetamide Formula: C20H28ClN3O5S MolecularWeight: 457.97142

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N(C2CCCCC2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C20H28ClN3O5S/c1-22(12-15-11-17(24(26)27)7-8-19(15)21)13-20(25)23(16-5-3-2-4-6-16)18-9-10-30(28,29)14-18/h7-8,11,16,18H,2-6,9-10,12-14H2,1H3