2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline trihydrochloride

Systemtic Name: 2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline trihydrochloride Openeye Name: 2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline trihydrochloride CAS Name: 2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline trihydrochloride IUPAC Name: 2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline trihydrochloride Traditional Name: [2-(1,4-diazepan-1-yl)-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]amine trihydrochloride Formula: C20H29Cl3N4O2S MolecularWeight: 495.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)N.Cl.Cl.Cl

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)N.Cl.Cl.Cl

InChI

InChI=1S/C20H26N4O2S.3ClH/c21-19-14-18(6-7-20(19)23-11-3-9-22-10-13-23)27(25,26)24-12-8-16-4-1-2-5-17(16)15-24;;;/h1-2,4-7,14,22H,3,8-13,15,21H2;3*1H