4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide

Systemtic Name: 4-chloranyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NCCCN4C=CN=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)C(=O)NCCCN4C=CN=C4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c23-20-7-6-18(22(28)25-9-3-11-26-13-10-24-16-26)14-21(20)31(29,30)27-12-8-17-4-1-2-5-19(17)15-27/h1-2,4-7,10,13-14,16H,3,8-9,11-12,15H2,(H,25,28)