4,6,7-trimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-2-carboxamide

Systemtic Name: 4,6,7-trimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-2-carboxamide Openeye Name: 4,6,7-trimethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-indole-2-carboxamide CAS Name: 4,6,7-trimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide IUPAC Name: 4,6,7-trimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4,6,7-trimethyl-1H-indole-2-carboxamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C=C(N2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C=C(N2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H24N4O5S/c1-12-9-13(2)16-11-18(24-20(16)14(12)3)21(26)23-8-7-22-17-6-5-15(31(4,29)30)10-19(17)25(27)28/h5-6,9-11,22,24H,7-8H2,1-4H3,(H,23,26)