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

Systemtic Name: 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide Openeye Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]benzamide IUPAC Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-methylpropanoylamino)ethyl]benzamide Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(isobutyrylamino)ethyl]benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-15(2)21(27)24-10-11-25-22(28)19-13-18(7-8-20(19)23)31(29,30)26-12-9-16-5-3-4-6-17(16)14-26/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)(H,25,28)