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

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-4-piperidin-1-yl-pyrrole-2,5-dione Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-4-(1-piperidyl)pyrrole-2,5-dione CAS Name: 3-[(4-chlorophenyl)thio]-1-(4-methoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione Traditional Name: 3-[(4-chlorophenyl)thio]-1-(4-methoxyphenyl)-4-piperidino-3-pyrroline-2,5-quinone Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3S/c1-28-17-9-7-16(8-10-17)25-21(26)19(24-13-3-2-4-14-24)20(22(25)27)29-18-11-5-15(23)6-12-18/h5-12H,2-4,13-14H2,1H3