N-[4-[[6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenyl]-1-(5-octyl-4,5-dihydro-1,3-thiazol-2-yl)indole-4-sulfonamide

Systemtic Name: N-[4-[[6,7-bis(oxidanyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenyl]-1-(5-octyl-4,5-dihydro-1,3-thiazol-2-yl)indole-4-sulfonamide Openeye Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-1-(5-octyl-4,5-dihydrothiazol-2-yl)indole-4-sulfonamide CAS Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-1-(5-octyl-4,5-dihydrothiazol-2-yl)-4-indolesulfonamide IUPAC Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-1-(5-octyl-4,5-dihydro-1,3-thiazol-2-yl)indole-4-sulfonamide Traditional Name: N-[4-[(6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl]-1-(5-octyl-2-thiazolin-2-yl)indole-4-sulfonamide Formula: C35H42N4O4S2 MolecularWeight: 646.86238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN=C(S1)N2C=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5)O)O

Isomeric SMILES

CCCCCCCCC1CN=C(S1)N2C=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5)O)O

InChI

InChI=1S/C35H42N4O4S2/c1-2-3-4-5-6-7-9-27-23-37-35(44-27)39-19-17-28-31(39)10-8-11-34(28)45(42,43)38-26-14-12-24(13-15-26)20-30-29-22-33(41)32(40)21-25(29)16-18-36-30/h8,10-15,17,19,21-22,27,30,36,38,40-41H,2-7,9,16,18,20,23H2,1H3