N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxamide Formula: C25H33N3O5S MolecularWeight: 487.61162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H33N3O5S/c1-3-27(4-2)18-20-9-6-5-8-19(20)17-26-25(29)22-10-7-13-28(22)34(30,31)21-11-12-23-24(16-21)33-15-14-32-23/h5-6,8-9,11-12,16,22H,3-4,7,10,13-15,17-18H2,1-2H3,(H,26,29)