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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-piperidinosulfonyl-benzamide Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CSC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC(C3=CSC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H31N3O3S2/c31-27(22-8-10-25(11-9-22)35(32,33)30-14-4-1-5-15-30)28-18-26(24-13-17-34-20-24)29-16-12-21-6-2-3-7-23(21)19-29/h2-3,6-11,13,17,20,26H,1,4-5,12,14-16,18-19H2,(H,28,31)