1-(5-chloranyl-2-methoxy-phenyl)-3-phenylsulfanyl-4-piperidin-1-yl-pyrrole-2,5-dione

Systemtic Name: 1-(5-chloranyl-2-methoxy-phenyl)-3-phenylsulfanyl-4-piperidin-1-yl-pyrrole-2,5-dione Openeye Name: 1-(5-chloro-2-methoxy-phenyl)-3-phenylsulfanyl-4-(1-piperidyl)pyrrole-2,5-dione CAS Name: 1-(5-chloro-2-methoxyphenyl)-3-(phenylthio)-4-(1-piperidinyl)pyrrole-2,5-dione IUPAC Name: 1-(5-chloro-2-methoxyphenyl)-3-phenylsulfanyl-4-piperidin-1-ylpyrrole-2,5-dione Traditional Name: 1-(5-chloro-2-methoxy-phenyl)-3-(phenylthio)-4-piperidino-3-pyrroline-2,5-quinone Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3S/c1-28-18-11-10-15(23)14-17(18)25-21(26)19(24-12-6-3-7-13-24)20(22(25)27)29-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3