3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(diisopropylamino)ethyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(diisopropylamino)ethyl]thiophene-2-carboxamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)C

InChI

InChI=1S/C22H31N3O3S2/c1-16(2)25(17(3)4)13-11-23-22(26)21-20(10-14-29-21)30(27,28)24-12-9-18-7-5-6-8-19(18)15-24/h5-8,10,14,16-17H,9,11-13,15H2,1-4H3,(H,23,26)