methyl 7-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]heptanoate CAS Name: 7-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]heptanoate Traditional Name: 7-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]amino]enanthic acid methyl ester Formula: C22H28N2O5S2 MolecularWeight: 464.59812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H28N2O5S2/c1-29-20(25)10-4-2-3-7-13-23-22(26)21-19(12-15-30-21)31(27,28)24-14-11-17-8-5-6-9-18(17)16-24/h5-6,8-9,12,15H,2-4,7,10-11,13-14,16H2,1H3,(H,23,26)