3,3-dimethyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide

Systemtic Name: 3,3-dimethyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]butanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butanamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethylbutanamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethylbutanamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,3-dimethyl-butyramide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)14-20(24)22-18-10-9-16-11-12-23(15-17(16)13-18)27(25,26)19-7-5-4-6-8-19/h4-10,13H,11-12,14-15H2,1-3H3,(H,22,24)