methyl 2-nitro-6-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)carbonyl]benzoate

Systemtic Name: methyl 2-nitro-6-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)carbonyl]benzoate Openeye Name: methyl 2-nitro-6-[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]benzoate CAS Name: 2-nitro-6-[oxo-(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-nitro-6-(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbonyl)benzoate Traditional Name: 2-nitro-6-[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbonyl]benzoic acid methyl ester Formula: C21H23N3O7S2 MolecularWeight: 493.55322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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