8-cyclohexyl-5-(2-methylpiperazin-1-yl)sulfonyl-isoquinoline

Systemtic Name: 8-cyclohexyl-5-(2-methylpiperazin-1-yl)sulfonyl-isoquinoline Openeye Name: 8-cyclohexyl-5-(2-methylpiperazin-1-yl)sulfonyl-isoquinoline CAS Name: 8-cyclohexyl-5-[(2-methyl-1-piperazinyl)sulfonyl]isoquinoline IUPAC Name: 8-cyclohexyl-5-(2-methylpiperazin-1-yl)sulfonylisoquinoline Traditional Name: 8-cyclohexyl-5-(2-methylpiperazino)sulfonyl-isoquinoline Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCN1S(=O)(=O)C2=C3C=CN=CC3=C(C=C2)C4CCCCC4

Isomeric SMILES

CC1CNCCN1S(=O)(=O)C2=C3C=CN=CC3=C(C=C2)C4CCCCC4

InChI

InChI=1S/C20H27N3O2S/c1-15-13-22-11-12-23(15)26(24,25)20-8-7-17(16-5-3-2-4-6-16)19-14-21-10-9-18(19)20/h7-10,14-16,22H,2-6,11-13H2,1H3