7-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline

Systemtic Name: 7-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline Openeye Name: 7-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-yl-isoquinoline CAS Name: 7-(4-tert-butylphenyl)sulfonyl-1-(1-piperazinyl)isoquinoline IUPAC Name: 7-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-ylisoquinoline Traditional Name: 7-(4-tert-butylphenyl)sulfonyl-1-piperazino-isoquinoline Formula: C23H27N3O2S MolecularWeight: 409.54438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCNCC4

InChI

InChI=1S/C23H27N3O2S/c1-23(2,3)18-5-8-19(9-6-18)29(27,28)20-7-4-17-10-11-25-22(21(17)16-20)26-14-12-24-13-15-26/h4-11,16,24H,12-15H2,1-3H3