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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-methylbutanoylamino)phenyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-methylbutanoylamino)phenyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(3-methylbutanoylamino)phenyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[4-(isovalerylamino)phenyl]thiophene-2-carboxamide Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S2/c1-17(2)15-23(29)26-20-7-9-21(10-8-20)27-25(30)24-22(12-14-33-24)34(31,32)28-13-11-18-5-3-4-6-19(18)16-28/h3-10,12,14,17H,11,13,15-16H2,1-2H3,(H,26,29)(H,27,30)