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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H26N6O3S2 MolecularWeight: 534.65304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NCCSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C26H26N6O3S2/c1-19-11-13-23(14-12-19)37(34,35)31-18-21-8-6-5-7-20(21)17-24(31)25(33)27-15-16-36-26-28-29-30-32(26)22-9-3-2-4-10-22/h2-14,24H,15-18H2,1H3,(H,27,33)