6-iodanyl-1-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-5-methylsulfanyl-2,3-dihydroindole

Systemtic Name: 6-iodanyl-1-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-5-methylsulfanyl-2,3-dihydroindole Openeye Name: 6-iodo-1-(4-methoxy-3-piperazin-1-yl-phenyl)sulfonyl-5-methylsulfanyl-indoline CAS Name: 6-iodo-1-[4-methoxy-3-(1-piperazinyl)phenyl]sulfonyl-5-(methylthio)-2,3-dihydroindole IUPAC Name: 6-iodo-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-5-methylsulfanyl-2,3-dihydroindole Traditional Name: 6-iodo-1-(4-methoxy-3-piperazino-phenyl)sulfonyl-5-(methylthio)indoline Formula: C20H24IN3O3S2 MolecularWeight: 545.45733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C32)I)SC)N4CCNCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C32)I)SC)N4CCNCC4

InChI

InChI=1S/C20H24IN3O3S2/c1-27-19-4-3-15(12-18(19)23-9-6-22-7-10-23)29(25,26)24-8-5-14-11-20(28-2)16(21)13-17(14)24/h3-4,11-13,22H,5-10H2,1-2H3