N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methyl-amino]thiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methyl-amino]thiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methyl-amino]thiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methylamino]-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)sulfonyl-methylamino]thiophene-2-carboxamide Traditional Name: 3-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-piperonyl-thiophene-2-carboxamide Formula: C21H20N2O6S2 MolecularWeight: 460.5233

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(SC=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C1=C(SC=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H20N2O6S2/c1-23(31(25,26)16-6-4-15(27-2)5-7-16)17-9-10-30-20(17)21(24)22-12-14-3-8-18-19(11-14)29-13-28-18/h3-11H,12-13H2,1-2H3,(H,22,24)