N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-3-thiophen-2-ylsulfonyl-propanamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]-3-thiophen-2-ylsulfonyl-propanamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3-(2-thienylsulfonyl)propanamide CAS Name: N-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-3-thiophen-2-ylsulfonylpropanamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3-thiophen-2-ylsulfonylpropanamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-3-(2-thienylsulfonyl)propionamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)NC(=O)CCS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N2O4S2/c26-21(12-15-31(28,29)22-6-3-14-30-22)24-20-9-7-18(8-10-20)23(27)25-13-11-17-4-1-2-5-19(17)16-25/h1-10,14H,11-13,15-16H2,(H,24,26)