4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methoxy-3-piperidinosulfonyl-phenyl)benzamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCC4=CC=CC=C4C3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H33N3O4S/c1-36-27-14-13-26(19-28(27)37(34,35)32-16-5-2-6-17-32)30-29(33)24-11-9-22(10-12-24)20-31-18-15-23-7-3-4-8-25(23)21-31/h3-4,7-14,19H,2,5-6,15-18,20-21H2,1H3,(H,30,33)