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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-morpholinosulfonyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-morpholinosulfonyl-benzamide Formula: C22H27N3O6S2 MolecularWeight: 493.59628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O6S2/c26-22(19-5-7-21(8-6-19)33(29,30)24-12-14-31-15-13-24)23-10-16-32(27,28)25-11-9-18-3-1-2-4-20(18)17-25/h1-8H,9-17H2,(H,23,26)