N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-tosyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H30ClN3O5S2 MolecularWeight: 588.1379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=C(C=CC(=C4)S(=O)(=O)N5CCCCC5)Cl

InChI

InChI=1S/C28H30ClN3O5S2/c1-20-9-11-23(12-10-20)39(36,37)32-19-22-8-4-3-7-21(22)17-27(32)28(33)30-26-18-24(13-14-25(26)29)38(34,35)31-15-5-2-6-16-31/h3-4,7-14,18,27H,2,5-6,15-17,19H2,1H3,(H,30,33)