5-[[2-(6-azanyl-5-cyano-pyridin-3-yl)-2-oxidanyl-ethyl]amino]-2-[[4-[methyl(methylsulfonyl)amino]phenyl]methyl]indole-1-carboxylic acid

Systemtic Name: 5-[[2-(6-azanyl-5-cyano-pyridin-3-yl)-2-oxidanyl-ethyl]amino]-2-[[4-[methyl(methylsulfonyl)amino]phenyl]methyl]indole-1-carboxylic acid Openeye Name: 5-[[2-(6-amino-5-cyano-3-pyridyl)-2-hydroxy-ethyl]amino]-2-[[4-[methyl(methylsulfonyl)amino]phenyl]methyl]indole-1-carboxylic acid CAS Name: 5-[[2-(6-amino-5-cyano-3-pyridinyl)-2-hydroxyethyl]amino]-2-[[4-[methyl(methylsulfonyl)amino]phenyl]methyl]-1-indolecarboxylic acid IUPAC Name: 5-[[2-(6-amino-5-cyanopyridin-3-yl)-2-hydroxyethyl]amino]-2-[[4-[methyl(methylsulfonyl)amino]phenyl]methyl]indole-1-carboxylic acid Traditional Name: 5-[[2-(6-amino-5-cyano-3-pyridyl)-2-hydroxy-ethyl]amino]-2-[4-[mesyl(methyl)amino]benzyl]indole-1-carboxylic acid Formula: C26H26N6O5S MolecularWeight: 534.58684

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)CC2=CC3=C(N2C(=O)O)C=CC(=C3)NCC(C4=CN=C(C(=C4)C#N)N)O)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=C(C=C1)CC2=CC3=C(N2C(=O)O)C=CC(=C3)NCC(C4=CN=C(C(=C4)C#N)N)O)S(=O)(=O)C

InChI

InChI=1S/C26H26N6O5S/c1-31(38(2,36)37)21-6-3-16(4-7-21)9-22-12-17-11-20(5-8-23(17)32(22)26(34)35)29-15-24(33)19-10-18(13-27)25(28)30-14-19/h3-8,10-12,14,24,29,33H,9,15H2,1-2H3,(H2,28,30)(H,34,35)