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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-phenethyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-4-methoxy-phenyl)sulfonyl-phenethyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-phenethylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-phenethylamino]acetamide Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)sulfonyl-phenethyl-amino]-N-piperonyl-acetamide Formula: C25H25ClN2O6S MolecularWeight: 516.9938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C25H25ClN2O6S/c1-32-22-10-8-20(14-21(22)26)35(30,31)28(12-11-18-5-3-2-4-6-18)16-25(29)27-15-19-7-9-23-24(13-19)34-17-33-23/h2-10,13-14H,11-12,15-17H2,1H3,(H,27,29)