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

Systemtic Name: 5-chloranyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzamide Openeye Name: 5-chloro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzamide CAS Name: 5-chloro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitrobenzamide IUPAC Name: 5-chloro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitrobenzamide Traditional Name: 5-chloro-N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5S/c1-27(25,26)20-7-6-11-2-4-14(8-12(11)10-20)19-17(22)15-9-13(18)3-5-16(15)21(23)24/h2-5,8-9H,6-7,10H2,1H3,(H,19,22)