1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]ethanone CAS Name: 1-[1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone IUPAC Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]ethanone Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)COCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O5S/c27-21(17-31-16-18-5-2-1-3-6-18)24-11-9-23(10-12-24)25(13-14-32-23)22(28)19-7-4-8-20(15-19)26(29)30/h1-8,15H,9-14,16-17H2