(2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-methyl-N-[(2-nitrophenyl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-nitrophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-nitrophenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-methyl-N-(2-nitrobenzyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N(C)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15-9-11-17(12-10-15)29(27,28)22-13-5-8-19(22)20(24)21(2)14-16-6-3-4-7-18(16)23(25)26/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3/t19-/m0/s1