2-methoxy-4-methylsulfinyl-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide

Systemtic Name: 2-methoxy-4-methylsulfinyl-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide Openeye Name: 2-methoxy-4-methylsulfinyl-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide CAS Name: 2-methoxy-4-methylsulfinyl-5-nitro-6-nonyl-3-(3-pyrrolidinyl)benzamide IUPAC Name: 2-methoxy-4-methylsulfinyl-5-nitro-6-nonyl-3-pyrrolidin-3-ylbenzamide Traditional Name: 2-methoxy-4-methylsulfinyl-5-nitro-6-nonyl-3-pyrrolidin-3-yl-benzamide Formula: C22H35N3O5S MolecularWeight: 453.5954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1[N+](=O)[O-])S(=O)C)C2CCNC2)OC)C(=O)N

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1[N+](=O)[O-])S(=O)C)C2CCNC2)OC)C(=O)N

InChI

InChI=1S/C22H35N3O5S/c1-4-5-6-7-8-9-10-11-16-18(22(23)26)20(30-2)17(15-12-13-24-14-15)21(31(3)29)19(16)25(27)28/h15,24H,4-14H2,1-3H3,(H2,23,26)