1-[3-nitro-4-(2,3,5-trimethylphenoxy)phenyl]sulfonylpyrrolidine

Systemtic Name: 1-[3-nitro-4-(2,3,5-trimethylphenoxy)phenyl]sulfonylpyrrolidine Openeye Name: 1-[3-nitro-4-(2,3,5-trimethylphenoxy)phenyl]sulfonylpyrrolidine CAS Name: 1-[3-nitro-4-(2,3,5-trimethylphenoxy)phenyl]sulfonylpyrrolidine IUPAC Name: 1-[3-nitro-4-(2,3,5-trimethylphenoxy)phenyl]sulfonylpyrrolidine Traditional Name: 1-[3-nitro-4-(2,3,5-trimethylphenoxy)phenyl]sulfonylpyrrolidine Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])C)C

InChI

InChI=1S/C19H22N2O5S/c1-13-10-14(2)15(3)19(11-13)26-18-7-6-16(12-17(18)21(22)23)27(24,25)20-8-4-5-9-20/h6-7,10-12H,4-5,8-9H2,1-3H3