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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16-6-4-7-18(12-16)22(25)23-9-5-11-30(26,27)24-10-8-17-13-20(28-2)21(29-3)14-19(17)15-24/h4,6-7,12-14H,5,8-11,15H2,1-3H3,(H,23,25)