2-[[3-nitro-2-(phenylsulfonyl)phenyl]amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[[3-nitro-2-(phenylsulfonyl)phenyl]amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[2-(benzenesulfonyl)-3-nitro-anilino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[2-(benzenesulfonyl)-3-nitroanilino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[2-(benzenesulfonyl)-3-nitroanilino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(2-besyl-3-nitro-anilino)-N-(3-pyridylmethyl)acetamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2[N+](=O)[O-])NCC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2[N+](=O)[O-])NCC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H18N4O5S/c25-19(23-13-15-6-5-11-21-12-15)14-22-17-9-4-10-18(24(26)27)20(17)30(28,29)16-7-2-1-3-8-16/h1-12,22H,13-14H2,(H,23,25)