1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[2-(4-methoxyphenyl)pyrrolidino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-14(27-18-11-7-16(8-12-18)22(24)25)20(23)21-13-3-4-19(21)15-5-9-17(26-2)10-6-15/h5-12,14,19H,3-4,13H2,1-2H3