N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-oxidanyl-naphthalene-2-carboxamide Openeye Name: 3-hydroxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]naphthalene-2-carboxamide CAS Name: 3-hydroxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-naphthalenecarboxamide IUPAC Name: 3-hydroxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]naphthalene-2-carboxamide Traditional Name: 3-hydroxy-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-naphthamide Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=CC=CC=C3C=C2O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC3=CC=CC=C3C=C2O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c1-30(28,29)15-6-7-17(18(12-15)23(26)27)21-8-9-22-20(25)16-10-13-4-2-3-5-14(13)11-19(16)24/h2-7,10-12,21,24H,8-9H2,1H3,(H,22,25)