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

Systemtic Name: (3S)-N-(2-bromophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(2-bromophenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-N-(2-bromophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(2-bromophenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(2-bromophenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H17BrN2O3S2 MolecularWeight: 477.39458

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C20H17BrN2O3S2/c21-16-8-3-4-9-17(16)22-20(24)18-12-14-6-1-2-7-15(14)13-23(18)28(25,26)19-10-5-11-27-19/h1-11,18H,12-13H2,(H,22,24)/t18-/m0/s1