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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclobutanecarboxamide Openeye Name: N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]cyclobutanecarboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclobutanecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]cyclobutanecarboxamide Traditional Name: N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclobutanecarboxamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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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)C4CCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4CCC4

InChI

InChI=1S/C21H24N2O3S/c1-15-5-9-20(10-6-15)27(25,26)23-12-11-16-7-8-19(13-18(16)14-23)22-21(24)17-3-2-4-17/h5-10,13,17H,2-4,11-12,14H2,1H3,(H,22,24)