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

Systemtic Name: 2-ethyl-1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]hexan-1-one Openeye Name: 2-ethyl-1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]hexan-1-one CAS Name: 2-ethyl-1-[1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]hexan-1-one Traditional Name: 2-ethyl-1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]hexan-1-one Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O4S/c1-3-5-7-17(4-2)20(26)23-12-10-22(11-13-23)24(14-15-30-22)21(27)18-8-6-9-19(16-18)25(28)29/h6,8-9,16-17H,3-5,7,10-15H2,1-2H3