4-methyl-5-[(2-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline hydrochloride

Systemtic Name: 4-methyl-5-[(2-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline hydrochloride Openeye Name: 4-methyl-5-[(2-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline hydrochloride CAS Name: 4-methyl-5-[(2-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline hydrochloride IUPAC Name: 4-methyl-5-[(2-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline hydrochloride Traditional Name: 4-methyl-5-[(2-phenyl-1,4-diazepan-1-yl)sulfonyl]isoquinoline hydrochloride Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H23N3O2S.ClH/c1-16-13-23-14-18-9-5-10-20(21(16)18)27(25,26)24-12-6-11-22-15-19(24)17-7-3-2-4-8-17;/h2-5,7-10,13-14,19,22H,6,11-12,15H2,1H3;1H