5-chloranyl-2-nitro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide

Systemtic Name: 5-chloranyl-2-nitro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Openeye Name: 5-chloro-2-nitro-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 5-chloro-2-nitro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide IUPAC Name: 5-chloro-2-nitro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide Traditional Name: 5-chloro-2-nitro-N-[2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C20H16ClN3O5S2 MolecularWeight: 477.94114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H16ClN3O5S2/c21-15-4-6-18(24(26)27)17(11-15)20(25)22-16-5-3-13-7-8-23(12-14(13)10-16)31(28,29)19-2-1-9-30-19/h1-6,9-11H,7-8,12H2,(H,22,25)