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

Systemtic Name: N-(4-butoxyphenyl)-2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonamide Openeye Name: N-(4-butoxyphenyl)-2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chromane-6-sulfonamide CAS Name: N-(4-butoxyphenyl)-2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: N-(4-butoxyphenyl)-2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonamide Traditional Name: N-(4-butoxyphenyl)-2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-sulfonamide Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C27H33N3O5S/c1-2-3-15-34-23-10-7-22(8-11-23)30-36(32,33)25-12-13-27-20(16-25)6-9-24(35-27)18-29-19-26(31)21-5-4-14-28-17-21/h4-5,7-8,10-14,16-17,24,26,29-31H,2-3,6,9,15,18-19H2,1H3