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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-3-16(4-2)21(24)22-19-11-10-17-12-13-23(15-18(17)14-19)27(25,26)20-8-6-5-7-9-20/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H,22,24)