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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H33N3O5S/c1-3-27(4-2)18-20-9-7-19(8-10-20)17-26-25(29)22-6-5-13-28(22)34(30,31)21-11-12-23-24(16-21)33-15-14-32-23/h7-12,16,22H,3-6,13-15,17-18H2,1-2H3,(H,26,29)