N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-methyl-benzamide

Systemtic Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-methyl-benzamide Openeye Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-methyl-benzamide CAS Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-methylbenzamide IUPAC Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-methylbenzamide Traditional Name: N-[3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-methyl-benzamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-16-5-7-17(8-6-16)22(25)23-10-4-12-30(26,27)24-11-9-18-13-20(28-2)21(29-3)14-19(18)15-24/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,23,25)