N-[5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-yl]ethanesulfonamide hydrate hydrochloride

Systemtic Name: N-[5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-yl]ethanesulfonamide hydrate hydrochloride Openeye Name: N-[5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-yl]ethanesulfonamide hydrate hydrochloride CAS Name: N-[5-(1H-indol-3-yl)-1-(5-methoxy-4-pyrimidinyl)-6-methyl-4-propyl-2-piperazinyl]ethanesulfonamide hydrate hydrochloride IUPAC Name: N-[5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propylpiperazin-2-yl]ethanesulfonamide hydrate hydrochloride Traditional Name: N-[5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-6-methyl-4-propyl-piperazin-2-yl]ethanesulfonamide hydrate hydrochloride Formula: C23H35ClN6O4S MolecularWeight: 527.0798

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(N(C(C1C2=CNC3=CC=CC=C32)C)C4=NC=NC=C4OC)NS(=O)(=O)CC.O.Cl

Isomeric SMILES

CCCN1CC(N(C(C1C2=CNC3=CC=CC=C32)C)C4=NC=NC=C4OC)NS(=O)(=O)CC.O.Cl

InChI

InChI=1S/C23H32N6O3S.ClH.H2O/c1-5-11-28-14-21(27-33(30,31)6-2)29(23-20(32-4)13-24-15-26-23)16(3)22(28)18-12-25-19-10-8-7-9-17(18)19;;/h7-10,12-13,15-16,21-22,25,27H,5-6,11,14H2,1-4H3;1H;1H2