5-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(4-tert-butylbenzyl)piperazino]sulfonylisoquinoline Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H29N3O2S/c1-24(2,3)21-9-7-19(8-10-21)18-26-13-15-27(16-14-26)30(28,29)23-6-4-5-20-17-25-12-11-22(20)23/h4-12,17H,13-16,18H2,1-3H3