methyl 4-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]-methyl-amino]methyl]benzoate CAS Name: 4-[[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]-methylamino]methyl]benzoate Traditional Name: 4-[[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophene-2-carbonyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H24N2O5S2/c1-25(15-17-7-9-19(10-8-17)24(28)31-2)23(27)22-21(12-14-32-22)33(29,30)26-13-11-18-5-3-4-6-20(18)16-26/h3-10,12,14H,11,13,15-16H2,1-2H3