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

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butanamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butanamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethylbutanamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethylbutanamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3,3-dimethyl-butyramide Formula: C22H28N2O4S MolecularWeight: 416.53372

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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=C(C=C3)OC)C=C1

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)14-21(25)23-18-6-5-16-11-12-24(15-17(16)13-18)29(26,27)20-9-7-19(28-4)8-10-20/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,25)