N-[[5-[[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophen-2-yl]methyl]ethanamide

Systemtic Name: N-[[5-[[(3S)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophen-2-yl]methyl]ethanamide Openeye Name: N-[[5-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-2-thienyl]methyl]acetamide CAS Name: N-[[5-[[(3S)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-2-thiophenyl]methyl]acetamide IUPAC Name: N-[[5-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]thiophen-2-yl]methyl]acetamide Traditional Name: N-[[5-[[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]-2-thienyl]methyl]acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O4S2/c1-15(25)22-13-18-8-9-20(29-18)30(27,28)24-14-17-7-3-2-6-16(17)12-19(24)21(26)23-10-4-5-11-23/h2-3,6-9,19H,4-5,10-14H2,1H3,(H,22,25)/t19-/m0/s1