N-[2-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide

Systemtic Name: N-[2-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-[(2,5-dimethyl-3-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide CAS Name: N-[2-[(2,5-dimethyl-3-thiophenyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-(2,5-dimethylthiophen-3-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-[(2,5-dimethyl-3-thienyl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-yl]picolinamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

InChI=1S/C21H21N3O3S2/c1-14-11-20(15(2)28-14)29(26,27)24-10-8-16-6-7-18(12-17(16)13-24)23-21(25)19-5-3-4-9-22-19/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,23,25)