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

Systemtic Name: 1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]octan-1-one Openeye Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]octan-1-one CAS Name: 1-[1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-1-octanone IUPAC Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]octan-1-one Traditional Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]octan-1-one Formula: C22H31N3O4S MolecularWeight: 433.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-2-3-4-5-6-10-20(26)23-13-11-22(12-14-23)24(15-16-30-22)21(27)18-8-7-9-19(17-18)25(28)29/h7-9,17H,2-6,10-16H2,1H3