N-[(4-bromophenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(4-bromophenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(4-bromophenyl)methyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(4-bromophenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(4-bromophenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromobenzyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H19BrN2O3S2 MolecularWeight: 491.42116

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)Br

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2O3S2/c22-18-9-7-15(8-10-18)13-23-21(25)19-12-16-4-1-2-5-17(16)14-24(19)29(26,27)20-6-3-11-28-20/h1-11,19H,12-14H2,(H,23,25)