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

Systemtic Name: 2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(N-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)N(CC(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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