2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-nosylthiazol-2-yl)acetamide Formula: C20H18N4O5S2 MolecularWeight: 458.51072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC(=O)NC3=NC=C(S3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S2/c25-18(13-23-10-9-14-3-1-2-4-15(14)12-23)22-20-21-11-19(30-20)31(28,29)17-7-5-16(6-8-17)24(26)27/h1-8,11H,9-10,12-13H2,(H,21,22,25)