N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide Traditional Name: 2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-piperonyl-propionamide Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C25H26N2O7S/c1-31-21-11-9-19(14-23(21)32-2)35(29,30)27-20(12-17-6-4-3-5-7-17)25(28)26-15-18-8-10-22-24(13-18)34-16-33-22/h3-11,13-14,20,27H,12,15-16H2,1-2H3,(H,26,28)