N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dinitrophenyl)sulfonyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dinitrophenyl)sulfonyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-(2,4-dinitrophenyl)sulfonyl-amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dinitrophenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dinitrophenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-(2,4-dinitrophenyl)sulfonyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C24H22N4O9S2 MolecularWeight: 574.58288

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O9S2/c1-2-9-26(39(34,35)23-8-6-18(27(30)31)12-20(23)28(32)33)15-24(29)25(14-19-4-3-10-38-19)13-17-5-7-21-22(11-17)37-16-36-21/h2-8,10-12H,1,9,13-16H2