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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-3-4-5-21(24)22-18-7-6-16-12-13-23(15-17(16)14-18)28(25,26)20-10-8-19(27-2)9-11-20/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,24)