N-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H22N6O3S3 MolecularWeight: 526.65418

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NCCSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NCCSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H22N6O3S3/c30-22(24-12-14-34-23-25-26-27-29(23)19-9-2-1-3-10-19)20-15-17-7-4-5-8-18(17)16-28(20)35(31,32)21-11-6-13-33-21/h1-11,13,20H,12,14-16H2,(H,24,30)