N-[(4-acetamidophenyl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenecarboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Traditional Name: N-(4-acetamidobenzyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carboxamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H23N3O4S2/c1-16(27)25-20-8-6-17(7-9-20)14-24-23(28)22-21(11-13-31-22)32(29,30)26-12-10-18-4-2-3-5-19(18)15-26/h2-9,11,13H,10,12,14-15H2,1H3,(H,24,28)(H,25,27)