N-(1,3-benzodioxol-5-yl)-2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3-bromophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(N-besyl-3-bromo-anilino)acetamide Formula: C21H17BrN2O5S MolecularWeight: 489.33908

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN2O5S/c22-15-5-4-6-17(11-15)24(30(26,27)18-7-2-1-3-8-18)13-21(25)23-16-9-10-19-20(12-16)29-14-28-19/h1-12H,13-14H2,(H,23,25)