methyl 3-nitro-5-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)carbonyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)carbonyl]benzoate Openeye Name: methyl 3-nitro-5-[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]benzoate CAS Name: 3-nitro-5-[oxo-(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbonyl)benzoate Traditional Name: 3-nitro-5-[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]benzoic acid methyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3(C2)CCN(CC3)S(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3(C2)CCN(CC3)S(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O7S2/c1-31-20(26)16-11-15(12-17(13-16)24(27)28)19(25)22-7-4-21(14-22)5-8-23(9-6-21)33(29,30)18-3-2-10-32-18/h2-3,10-13H,4-9,14H2,1H3