5,7-dimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-2-carboxamide

Systemtic Name: 5,7-dimethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-2-carboxamide Openeye Name: 5,7-dimethoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-indole-2-carboxamide CAS Name: 5,7-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide IUPAC Name: 5,7-dimethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5,7-dimethoxy-1H-indole-2-carboxamide Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(N2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O7S/c1-30-13-8-12-9-16(23-19(12)18(10-13)31-2)20(25)22-7-6-21-15-5-4-14(32(3,28)29)11-17(15)24(26)27/h4-5,8-11,21,23H,6-7H2,1-3H3,(H,22,25)