(2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-mesitylsulfonyl-N-piperonyl-pyrrolidine-2-carboxamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H26N2O5S/c1-14-9-15(2)21(16(3)10-14)30(26,27)24-8-4-5-18(24)22(25)23-12-17-6-7-19-20(11-17)29-13-28-19/h6-7,9-11,18H,4-5,8,12-13H2,1-3H3,(H,23,25)/t18-/m0/s1