N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-morpholinosulfonyl-benzamide Formula: C26H29N3O4S2 MolecularWeight: 511.65616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CSC=C5

InChI

InChI=1S/C26H29N3O4S2/c30-26(21-5-7-24(8-6-21)35(31,32)29-12-14-33-15-13-29)27-17-25(23-10-16-34-19-23)28-11-9-20-3-1-2-4-22(20)18-28/h1-8,10,16,19,25H,9,11-15,17-18H2,(H,27,30)