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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)C(C1=O)N3CCN(CC3)C4=NSC5=CC=CC=C54.CS(=O)(=O)O.O.O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)Cl)C(C1=O)N3CCN(CC3)C4=NSC5=CC=CC=C54.CS(=O)(=O)O.O.O

InChI

InChI=1S/C21H21ClN4OS.CH4O3S.2H2O/c1-2-26-17-13-14(22)7-8-15(17)19(21(26)27)24-9-11-25(12-10-24)20-16-5-3-4-6-18(16)28-23-20;1-5(2,3)4;;/h3-8,13,19H,2,9-12H2,1H3;1H3,(H,2,3,4);2*1H2