[8-(4-chloranyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone

Systemtic Name: [8-(4-chloranyl-3-nitro-phenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone Openeye Name: [8-(4-chloro-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone CAS Name: [8-[(4-chloro-3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexylmethanone IUPAC Name: [8-(4-chloro-3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexylmethanone Traditional Name: [8-(4-chloro-3-nitro-benzoyl)-4-thia-1,8-diazaspiro[4.5]decan-1-yl]-cyclohexyl-methanone Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCSC23CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCSC23CCN(CC3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H26ClN3O4S/c22-17-7-6-16(14-18(17)25(28)29)19(26)23-10-8-21(9-11-23)24(12-13-30-21)20(27)15-4-2-1-3-5-15/h6-7,14-15H,1-5,8-13H2