N-(3-piperidin-1-ylsulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(1-piperidylsulfonyl)phenyl]-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[3-(1-piperidinylsulfonyl)phenyl]-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-piperidin-1-ylsulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-piperidinosulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C31H37N3O5S2 MolecularWeight: 595.77258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)C)C

InChI

InChI=1S/C31H37N3O5S2/c1-21-17-22(2)24(4)30(23(21)3)41(38,39)34-20-26-12-7-6-11-25(26)18-29(34)31(35)32-27-13-10-14-28(19-27)40(36,37)33-15-8-5-9-16-33/h6-7,10-14,17,19,29H,5,8-9,15-16,18,20H2,1-4H3,(H,32,35)