5-[3-[(4-chlorophenyl)methoxymethyl]piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[3-[(4-chlorophenyl)methoxymethyl]piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[3-[(4-chlorophenyl)methoxymethyl]piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[3-[(4-chlorophenyl)methoxymethyl]-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[3-[(4-chlorophenyl)methoxymethyl]piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[3-[(4-chlorobenzyl)oxymethyl]piperazino]sulfonylisoquinoline Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)COCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CC(N1)COCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H22ClN3O3S/c22-18-6-4-16(5-7-18)14-28-15-19-13-25(11-10-24-19)29(26,27)21-3-1-2-17-12-23-9-8-20(17)21/h1-9,12,19,24H,10-11,13-15H2