2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[6-methyl-5,5-bis(oxidanylidene)benzo[c][1,2,5]benzothiadiazepin-11-yl]ethanone dihydrochloride

Systemtic Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[6-methyl-5,5-bis(oxidanylidene)benzo[c][1,2,5]benzothiadiazepin-11-yl]ethanone dihydrochloride Openeye Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(6-methyl-5,5-dioxo-benzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone dihydrochloride CAS Name: 2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-(6-methyl-5,5-dioxo-11-benzo[c][1,2,5]benzothiadiazepinyl)ethanone dihydrochloride IUPAC Name: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(6-methyl-5,5-dioxobenzo[c][1,2,5]benzothiadiazepin-11-yl)ethanone dihydrochloride Traditional Name: 1-(5,5-diketo-6-methyl-benzo[c][1,2,5]benzothiadiazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazino]ethanone dihydrochloride Formula: C21H28Cl2N4O4S MolecularWeight: 503.44242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C3=CC=CC=C3S1(=O)=O)C(=O)CN4CCN(CC4)CCO.Cl.Cl

Isomeric SMILES

CN1C2=CC=CC=C2N(C3=CC=CC=C3S1(=O)=O)C(=O)CN4CCN(CC4)CCO.Cl.Cl

InChI

InChI=1S/C21H26N4O4S.2ClH/c1-22-17-6-2-3-7-18(17)25(19-8-4-5-9-20(19)30(22,28)29)21(27)16-24-12-10-23(11-13-24)14-15-26;;/h2-9,26H,10-16H2,1H3;2*1H