N-(1-methylpyrrol-2-yl)-2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonamide

Systemtic Name: N-(1-methylpyrrol-2-yl)-2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromene-6-sulfonamide Openeye Name: 2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]-N-(1-methylpyrrol-2-yl)chromane-6-sulfonamide CAS Name: 2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-N-(1-methyl-2-pyrrolyl)-3,4-dihydro-2H-1-benzopyran-6-sulfonamide IUPAC Name: 2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-N-(1-methylpyrrol-2-yl)-3,4-dihydro-2H-chromene-6-sulfonamide Traditional Name: 2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]-N-(1-methylpyrrol-2-yl)chroman-6-sulfonamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

Isomeric SMILES

CN1C=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C22H26N4O4S/c1-26-11-3-5-22(26)25-31(28,29)19-8-9-21-16(12-19)6-7-18(30-21)14-24-15-20(27)17-4-2-10-23-13-17/h2-5,8-13,18,20,24-25,27H,6-7,14-15H2,1H3