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

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-4-piperidinosulfonyl-benzamide Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)C=C1

InChI

InChI=1S/C25H33N3O6S2/c1-34-23-9-6-22-19-28(16-12-21(22)18-23)35(30,31)17-5-13-26-25(29)20-7-10-24(11-8-20)36(32,33)27-14-3-2-4-15-27/h6-11,18H,2-5,12-17,19H2,1H3,(H,26,29)