1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O5S/c1-26-18-10-5-14(12-19(18)27-2)17-4-3-11-21(17)20(23)13-28-16-8-6-15(7-9-16)22(24)25/h5-10,12,17H,3-4,11,13H2,1-2H3