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

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenyl-butanamide Openeye Name: 4-phenyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenylbutanamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-phenylbutanamide Traditional Name: 4-phenyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C26H28N2O3S MolecularWeight: 448.57712

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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)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-20-10-14-25(15-11-20)32(30,31)28-17-16-22-12-13-24(18-23(22)19-28)27-26(29)9-5-8-21-6-3-2-4-7-21/h2-4,6-7,10-15,18H,5,8-9,16-17,19H2,1H3,(H,27,29)