N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(2-methoxyphenyl)-N-piperonyl-pyrrolidine-3-carboxamide Formula: C26H25ClN2O6S MolecularWeight: 529.0045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC=CC=C1C2CN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H25ClN2O6S/c1-33-23-5-3-2-4-20(23)21-14-29(36(31,32)19-9-7-18(27)8-10-19)15-22(21)26(30)28-13-17-6-11-24-25(12-17)35-16-34-24/h2-12,21-22H,13-16H2,1H3,(H,28,30)