1-[8-(4-chloranyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[8-(4-chloranyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[8-(4-chloro-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-methyl-propan-1-one CAS Name: 1-[8-[(4-chloro-3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-methyl-1-propanone IUPAC Name: 1-[8-(4-chloro-3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one Traditional Name: 1-[8-(4-chloro-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-2-methyl-propan-1-one Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCSC12CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCSC12CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN3O4S/c1-12(2)16(23)21-9-10-27-18(21)5-7-20(8-6-18)17(24)13-3-4-14(19)15(11-13)22(25)26/h3-4,11-12H,5-10H2,1-2H3