1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C2=C(C=CC(=C2)OC)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1C2=C(C=CC(=C2)OC)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-14(29-17-9-6-15(7-10-17)23(25)26)21(24)22-12-4-5-19(22)18-13-16(27-2)8-11-20(18)28-3/h6-11,13-14,19H,4-5,12H2,1-3H3