2,3-dimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-5-carboxamide

Systemtic Name: 2,3-dimethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1H-indole-5-carboxamide Openeye Name: 2,3-dimethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1H-indole-5-carboxamide CAS Name: 2,3-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-5-carboxamide IUPAC Name: 2,3-dimethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1H-indole-5-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

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