N-(2-methyl-6-propan-2-yl-phenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(benzenesulfonyl)-N-(2-isopropyl-6-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(benzenesulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(benzenesulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-besyl-N-(2-isopropyl-6-methyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-18(2)23-15-9-10-19(3)25(23)27-26(29)24-16-20-11-7-8-12-21(20)17-28(24)32(30,31)22-13-5-4-6-14-22/h4-15,18,24H,16-17H2,1-3H3,(H,27,29)