(2S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2-methyl-1-methylsulfonyl-indoline-5-carboxamide CAS Name: (2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-mesyl-2-methyl-indoline-5-carboxamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C20H22BrN3O4S/c1-12-8-16(21)5-6-17(12)23-19(25)11-22-20(26)14-4-7-18-15(10-14)9-13(2)24(18)29(3,27)28/h4-8,10,13H,9,11H2,1-3H3,(H,22,26)(H,23,25)/t13-/m0/s1