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

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-2-(2,3,5,6-tetramethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H35N3O5S2 MolecularWeight: 581.746

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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=C(C=C4)S(=O)(=O)N5CCCC5)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C)C

InChI

InChI=1S/C30H35N3O5S2/c1-20-17-21(2)23(4)29(22(20)3)40(37,38)33-19-25-10-6-5-9-24(25)18-28(33)30(34)31-26-11-13-27(14-12-26)39(35,36)32-15-7-8-16-32/h5-6,9-14,17,28H,7-8,15-16,18-19H2,1-4H3,(H,31,34)