2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methylphenoxy)ethyl]benzamide

Systemtic Name: 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methylphenoxy)ethyl]benzamide Openeye Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methylphenoxy)ethyl]benzamide CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methylphenoxy)ethyl]benzamide IUPAC Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methylphenoxy)ethyl]benzamide Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(3-methylphenoxy)ethyl]benzamide Formula: C25H25ClN2O4S MolecularWeight: 484.995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)Cl

InChI

InChI=1S/C25H25ClN2O4S/c1-18-5-4-8-21(15-18)32-14-12-27-25(29)23-16-22(9-10-24(23)26)33(30,31)28-13-11-19-6-2-3-7-20(19)17-28/h2-10,15-16H,11-14,17H2,1H3,(H,27,29)