1-(4-ethylpiperazin-1-yl)-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]isoquinoline Openeye Name: 3-[4-(2-benzyloxyethylsulfonyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(2-phenylmethoxyethylsulfonyl)phenyl]isoquinoline Traditional Name: 3-[4-(2-benzoxyethylsulfonyl)phenyl]-1-(4-ethylpiperazino)isoquinoline Formula: C30H33N3O3S MolecularWeight: 515.66632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)CCOCC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)CCOCC5=CC=CC=C5

InChI

InChI=1S/C30H33N3O3S/c1-2-32-16-18-33(19-17-32)30-28-11-7-6-10-26(28)22-29(31-30)25-12-14-27(15-13-25)37(34,35)21-20-36-23-24-8-4-3-5-9-24/h3-15,22H,2,16-21,23H2,1H3