(2S)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-2-(phenylmethyl)pyrrolidine

Systemtic Name: (2S)-1-(4-methoxy-3-nitro-phenyl)sulfonyl-2-(phenylmethyl)pyrrolidine Openeye Name: (2S)-2-benzyl-1-(4-methoxy-3-nitro-phenyl)sulfonyl-pyrrolidine CAS Name: (2S)-1-(4-methoxy-3-nitrophenyl)sulfonyl-2-(phenylmethyl)pyrrolidine IUPAC Name: (2S)-2-benzyl-1-(4-methoxy-3-nitrophenyl)sulfonylpyrrolidine Traditional Name: (2S)-2-benzyl-1-(4-methoxy-3-nitro-phenyl)sulfonyl-pyrrolidine Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@H]2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5S/c1-25-18-10-9-16(13-17(18)20(21)22)26(23,24)19-11-5-8-15(19)12-14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3/t15-/m0/s1