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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCS(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCS(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O5S2/c26-22(19-7-9-21(10-8-19)32(29,30)24-13-3-4-14-24)23-12-16-31(27,28)25-15-11-18-5-1-2-6-20(18)17-25/h1-2,5-10H,3-4,11-17H2,(H,23,26)