(2S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(5-bromo-2-methoxy-benzyl)-N-methyl-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N(C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O4S/c1-15-6-9-18(10-7-15)29(26,27)24-12-4-5-19(24)21(25)23(2)14-16-13-17(22)8-11-20(16)28-3/h6-11,13,19H,4-5,12,14H2,1-3H3/t19-/m0/s1