5-[2-[[2-(6-azanyl-5-chloranyl-pyridin-3-yl)-2-oxidanyl-ethyl]amino]propyl]-1-[[3-[methyl(trifluoromethylsulfonyl)amino]phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 5-[2-[[2-(6-azanyl-5-chloranyl-pyridin-3-yl)-2-oxidanyl-ethyl]amino]propyl]-1-[[3-[methyl(trifluoromethylsulfonyl)amino]phenyl]methyl]indole-2-carboxylic acid Openeye Name: 5-[2-[[2-(6-amino-5-chloro-3-pyridyl)-2-hydroxy-ethyl]amino]propyl]-1-[[3-[methyl(trifluoromethylsulfonyl)amino]phenyl]methyl]indole-2-carboxylic acid CAS Name: 5-[2-[[2-(6-amino-5-chloro-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-1-[[3-[methyl(trifluoromethylsulfonyl)amino]phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 5-[2-[[2-(6-amino-5-chloropyridin-3-yl)-2-hydroxyethyl]amino]propyl]-1-[[3-[methyl(trifluoromethylsulfonyl)amino]phenyl]methyl]indole-2-carboxylic acid Traditional Name: 5-[2-[[2-(6-amino-5-chloro-3-pyridyl)-2-hydroxy-ethyl]amino]propyl]-1-[3-[methyl(triflyl)amino]benzyl]indole-2-carboxylic acid Formula: C28H29ClF3N5O5S MolecularWeight: 640.07357

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=CC=C3)N(C)S(=O)(=O)C(F)(F)F)NCC(C4=CC(=C(N=C4)N)Cl)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=CC=C3)N(C)S(=O)(=O)C(F)(F)F)NCC(C4=CC(=C(N=C4)N)Cl)O

InChI

InChI=1S/C28H29ClF3N5O5S/c1-16(34-14-25(38)20-11-22(29)26(33)35-13-20)8-17-6-7-23-19(9-17)12-24(27(39)40)37(23)15-18-4-3-5-21(10-18)36(2)43(41,42)28(30,31)32/h3-7,9-13,16,25,34,38H,8,14-15H2,1-2H3,(H2,33,35)(H,39,40)