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

Systemtic Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-butanamide CAS Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbutanamide IUPAC Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-3-methyl-butyramide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-15(2)12-21(24)22-18-5-4-16-10-11-23(14-17(16)13-18)28(25,26)20-8-6-19(27-3)7-9-20/h4-9,13,15H,10-12,14H2,1-3H3,(H,22,24)