5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one; methanesulfonic acid; dihydrate

Systemtic Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one; methanesulfonic acid; dihydrate Openeye Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-indolin-2-one; methanesulfonic acid; dihydrate CAS Name: 5-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]-6-chloro-1,3-dihydroindol-2-one; methanesulfonic acid; dihydrate IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one; methanesulfonic acid; dihydrate Traditional Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]-6-chloro-oxindole; mesylic acid; dihydrate Formula: C22H29ClN4O6S2 MolecularWeight: 545.07186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.O

Isomeric SMILES

CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.O

InChI

InChI=1S/C21H21ClN4OS.CH4O3S.2H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;1-5(2,3)4;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4);2*1H2