N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C25H29N3O6S MolecularWeight: 499.57926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H29N3O6S/c1-17-6-7-19(13-23(17)35(31,32)27-10-4-2-3-5-11-27)26-25(30)18-12-24(29)28(15-18)20-8-9-21-22(14-20)34-16-33-21/h6-9,13-14,18H,2-5,10-12,15-16H2,1H3,(H,26,30)