4-chloranyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide

Systemtic Name: 4-chloranyl-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Openeye Name: 4-chloro-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide CAS Name: 4-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide IUPAC Name: 4-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Traditional Name: 4-chloro-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCCCl

InChI

InChI=1S/C20H23ClN2O3S/c1-15-4-8-19(9-5-15)27(25,26)23-12-10-16-6-7-18(13-17(16)14-23)22-20(24)3-2-11-21/h4-9,13H,2-3,10-12,14H2,1H3,(H,22,24)