1-(4-methoxyphenyl)-3-phenylsulfanyl-4-piperidin-1-yl-pyrrole-2,5-dione

Systemtic Name: 1-(4-methoxyphenyl)-3-phenylsulfanyl-4-piperidin-1-yl-pyrrole-2,5-dione Openeye Name: 1-(4-methoxyphenyl)-3-phenylsulfanyl-4-(1-piperidyl)pyrrole-2,5-dione CAS Name: 1-(4-methoxyphenyl)-3-(phenylthio)-4-(1-piperidinyl)pyrrole-2,5-dione IUPAC Name: 1-(4-methoxyphenyl)-3-phenylsulfanyl-4-piperidin-1-ylpyrrole-2,5-dione Traditional Name: 1-(4-methoxyphenyl)-3-(phenylthio)-4-piperidino-3-pyrroline-2,5-quinone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C22H22N2O3S/c1-27-17-12-10-16(11-13-17)24-21(25)19(23-14-6-3-7-15-23)20(22(24)26)28-18-8-4-2-5-9-18/h2,4-5,8-13H,3,6-7,14-15H2,1H3