2-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethyl-amino]-N-(methylideneamino)ethanamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethyl-amino]-N-(methylideneamino)ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethyl-amino]-N-(methyleneamino)acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethylamino]-N-(methyleneamino)acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-[(4-bromophenyl)sulfonyl-phenethylamino]-N-(methylideneamino)acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-[brosyl(phenethyl)amino]-N-(methyleneamino)acetamide Formula: C24H22BrN3O5S MolecularWeight: 544.41758

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Descriptors Computed from Structure

Canonical SMILES:

C=NNC(=O)C(C1=CC2=C(C=C1)OCO2)N(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C=NNC(=O)C(C1=CC2=C(C=C1)OCO2)N(CCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H22BrN3O5S/c1-26-27-24(29)23(18-7-12-21-22(15-18)33-16-32-21)28(14-13-17-5-3-2-4-6-17)34(30,31)20-10-8-19(25)9-11-20/h2-12,15,23H,1,13-14,16H2,(H,27,29)