N-phenethyl-2-[2,3,4-tris(oxidanyl)-5-propan-2-yl-phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N-phenethyl-2-[2,3,4-tris(oxidanyl)-5-propan-2-yl-phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N-phenethyl-2-(2,3,4-trihydroxy-5-isopropyl-benzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: 2-[oxo-(2,3,4-trihydroxy-5-propan-2-ylphenyl)methyl]-N-phenethyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N-phenethyl-2-(2,3,4-trihydroxy-5-propan-2-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N-phenethyl-2-(2,3,4-trihydroxy-5-isopropyl-benzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(C(=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)O)O)O

Isomeric SMILES

CC(C)C1=C(C(=C(C(=C1)C(=O)N2CCC3=C(C2)C=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)O)O)O

InChI

InChI=1S/C27H30N2O6S/c1-17(2)22-15-23(25(31)26(32)24(22)30)27(33)29-13-11-19-8-9-21(14-20(19)16-29)36(34,35)28-12-10-18-6-4-3-5-7-18/h3-9,14-15,17,28,30-32H,10-13,16H2,1-2H3