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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-phenylmethoxypropylsulfonyl)phenyl]isoquinoline Openeye Name: 3-[4-(3-benzyloxypropylsulfonyl)phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(3-phenylmethoxypropylsulfonyl)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-phenylmethoxypropylsulfonyl)phenyl]isoquinoline Traditional Name: 3-[4-(3-benzoxypropylsulfonyl)phenyl]-1-(4-ethylpiperazino)isoquinoline Formula: C31H35N3O3S MolecularWeight: 529.6929

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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)CCCOCC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)CCCOCC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O3S/c1-2-33-17-19-34(20-18-33)31-29-12-7-6-11-27(29)23-30(32-31)26-13-15-28(16-14-26)38(35,36)22-8-21-37-24-25-9-4-3-5-10-25/h3-7,9-16,23H,2,8,17-22,24H2,1H3