N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: 1-besyl-4-(2,4-dimethoxyphenyl)-N-piperonyl-pyrrolidine-3-carboxamide Formula: C27H28N2O7S MolecularWeight: 524.58542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CN(CC2C(=O)NCC3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H28N2O7S/c1-33-19-9-10-21(25(13-19)34-2)22-15-29(37(31,32)20-6-4-3-5-7-20)16-23(22)27(30)28-14-18-8-11-24-26(12-18)36-17-35-24/h3-13,22-23H,14-17H2,1-2H3,(H,28,30)