2-(3-methyl-4-pentoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-methyl-4-pentoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-methyl-4-pentoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-methyl-4-pentoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-methyl-4-pentoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-amoxy-3-methyl-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C21H27NO3S/c1-3-4-7-14-25-21-11-10-20(15-17(21)2)26(23,24)22-13-12-18-8-5-6-9-19(18)16-22/h5-6,8-11,15H,3-4,7,12-14,16H2,1-2H3