2-[[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]methyl]-N-(4-cyclohexylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide

Systemtic Name: 2-[[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]methyl]-N-(4-cyclohexylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide Openeye Name: 2-[[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]methyl]-N-(4-cyclohexylphenyl)chromane-6-sulfonamide CAS Name: 2-[[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]methyl]-N-(4-cyclohexylphenyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: 2-[[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]methyl]-N-(4-cyclohexylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide Traditional Name: 2-[[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]methyl]-N-(4-cyclohexylphenyl)chroman-6-sulfonamide Formula: C29H36N4O4S MolecularWeight: 536.68554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=C(C=C5)N)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=C(C=C5)N)O

InChI

InChI=1S/C29H36N4O4S/c30-29-15-9-23(17-32-29)27(34)19-31-18-25-12-8-22-16-26(13-14-28(22)37-25)38(35,36)33-24-10-6-21(7-11-24)20-4-2-1-3-5-20/h6-7,9-11,13-17,20,25,27,31,33-34H,1-5,8,12,18-19H2,(H2,30,32)