4-(1,3-benzodioxol-5-yl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]-2-propyl-pyrrolidine-3-carboxylate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]-2-propyl-pyrrolidine-3-carboxylate Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]-2-propyl-pyrrolidine-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]-2-propyl-3-pyrrolidinecarboxylate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]-2-propylpyrrolidine-3-carboxylate Traditional Name: 1-[2-[amylsulfonyl(propyl)amino]ethyl]-4-(1,3-benzodioxol-5-yl)-2-propyl-pyrrolidine-3-carboxylate Formula: C25H39N2O6S- MolecularWeight: 495.65196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)N(CCC)CCN1CC(C(C1CCC)C(=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCS(=O)(=O)N(CCC)CCN1CC(C(C1CCC)C(=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C25H40N2O6S/c1-4-7-8-15-34(30,31)27(12-6-3)14-13-26-17-20(24(25(28)29)21(26)9-5-2)19-10-11-22-23(16-19)33-18-32-22/h10-11,16,20-21,24H,4-9,12-15,17-18H2,1-3H3,(H,28,29)/p-1