N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butane-1-sulfonamide hydrochloride

Systemtic Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butane-1-sulfonamide hydrochloride Openeye Name: N-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butane-1-sulfonamide hydrochloride CAS Name: N-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-1-butanesulfonamide hydrochloride IUPAC Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butane-1-sulfonamide hydrochloride Traditional Name: N-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]butane-1-sulfonamide hydrochloride Formula: C25H33ClN4O2S MolecularWeight: 489.07312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC.Cl

InChI

InChI=1S/C25H32N4O2S.ClH/c1-3-5-18-32(30,31)27-22-12-10-20(11-13-22)24-19-21-8-6-7-9-23(21)25(26-24)29-16-14-28(4-2)15-17-29;/h6-13,19,27H,3-5,14-18H2,1-2H3;1H