azocan-1-yl-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone

Systemtic Name: azocan-1-yl-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone Openeye Name: azocan-1-yl-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]methanone CAS Name: 1-azocanyl-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]methanone IUPAC Name: azocan-1-yl-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]methanone Traditional Name: azocan-1-yl-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]methanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)C2=C(C=CS2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N2O3S2/c24-21(22-12-6-2-1-3-7-13-22)20-19(11-15-27-20)28(25,26)23-14-10-17-8-4-5-9-18(17)16-23/h4-5,8-9,11,15H,1-3,6-7,10,12-14,16H2