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

Systemtic Name: 4,6-dimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-2-carboxamide Openeye Name: 4,6-dimethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-indole-2-carboxamide CAS Name: 4,6-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide IUPAC Name: 4,6-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4,6-dimethyl-1H-indole-2-carboxamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O5S/c1-12-8-13(2)15-11-18(23-17(15)9-12)20(25)22-7-6-21-16-5-4-14(30(3,28)29)10-19(16)24(26)27/h4-5,8-11,21,23H,6-7H2,1-3H3,(H,22,25)