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

Systemtic Name: 3-methoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]naphthalene-2-carboxamide Openeye Name: 3-methoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]naphthalene-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-methoxy-2-naphthamide Formula: C21H21N3O6S MolecularWeight: 443.47294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c1-30-20-12-15-6-4-3-5-14(15)11-17(20)21(25)23-10-9-22-18-8-7-16(31(2,28)29)13-19(18)24(26)27/h3-8,11-13,22H,9-10H2,1-2H3,(H,23,25)