6-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]nicotinamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c22-20-10-5-16(13-23-20)21(26)24-18-6-8-19(9-7-18)29(27,28)25-12-11-15-3-1-2-4-17(15)14-25/h1-10,13H,11-12,14H2,(H,24,26)