(2S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H24BrN3O4S/c1-14-5-8-17(9-6-14)30(28,29)25-11-3-4-19(25)21(27)23-13-20(26)24-18-10-7-16(22)12-15(18)2/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,23,27)(H,24,26)/t19-/m0/s1