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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CSC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CSC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H29N3O3S2/c30-26(21-7-9-24(10-8-21)34(31,32)29-13-3-4-14-29)27-17-25(23-12-16-33-19-23)28-15-11-20-5-1-2-6-22(20)18-28/h1-2,5-10,12,16,19,25H,3-4,11,13-15,17-18H2,(H,27,30)