1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]heptan-1-one

Systemtic Name: 1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]heptan-1-one Openeye Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]heptan-1-one CAS Name: 1-[1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-1-heptanone IUPAC Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]heptan-1-one Traditional Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]heptan-1-one Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O4S/c1-2-3-4-5-9-19(25)22-12-10-21(11-13-22)23(14-15-29-21)20(26)17-7-6-8-18(16-17)24(27)28/h6-8,16H,2-5,9-15H2,1H3