7-(2-tert-butylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride

Systemtic Name: 7-(2-tert-butylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Openeye Name: 7-(2-tert-butylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride CAS Name: 7-(2-tert-butylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride IUPAC Name: 7-(2-tert-butylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Traditional Name: 7-(2-tert-butylphenyl)sulfonyl-1-(1,4-diazepan-1-yl)isoquinoline hydrochloride Formula: C24H30ClN3O2S MolecularWeight: 460.0319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCCNCC4.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1S(=O)(=O)C2=CC3=C(C=C2)C=CN=C3N4CCCNCC4.Cl

InChI

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