N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3,5-dimethylbenzamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3,5-dimethyl-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC)C

InChI

InChI=1S/C22H28N2O4S/c1-16-11-17(2)13-20(12-16)22(25)23-8-4-10-29(26,27)24-9-7-18-14-21(28-3)6-5-19(18)15-24/h5-6,11-14H,4,7-10,15H2,1-3H3,(H,23,25)