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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(1-imidazolyl)propyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c27-22(24-11-3-13-25-15-12-23-17-25)19-6-8-21(9-7-19)30(28,29)26-14-10-18-4-1-2-5-20(18)16-26/h1-2,4-9,12,15,17H,3,10-11,13-14,16H2,(H,24,27)