N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-phenethylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonyl-phenethylamino]acetamide Traditional Name: 2-[(4-methoxy-3-methyl-phenyl)sulfonyl-phenethyl-amino]-N-piperonyl-acetamide Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C26H28N2O6S/c1-19-14-22(9-11-23(19)32-2)35(30,31)28(13-12-20-6-4-3-5-7-20)17-26(29)27-16-21-8-10-24-25(15-21)34-18-33-24/h3-11,14-15H,12-13,16-18H2,1-2H3,(H,27,29)