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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(N-besyl-3-nitro-anilino)acetamide Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN(C3=CC(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O7S/c25-21(22-15-9-10-19-20(11-15)31-14-30-19)13-23(16-5-4-6-17(12-16)24(26)27)32(28,29)18-7-2-1-3-8-18/h1-12H,13-14H2,(H,22,25)