3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(isoquinolin-1-ylmethyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(isoquinolin-1-ylmethyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1-isoquinolylmethyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-(1-isoquinolinylmethyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(isoquinolin-1-ylmethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-(1-isoquinolylmethyl)benzamide Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC=CC4=CC=CC=C43)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=NC=CC4=CC=CC=C43)Cl

InChI

InChI=1S/C23H24ClN3O3S/c24-20-10-9-18(15-22(20)31(29,30)27-13-5-1-2-6-14-27)23(28)26-16-21-19-8-4-3-7-17(19)11-12-25-21/h3-4,7-12,15H,1-2,5-6,13-14,16H2,(H,26,28)