N-[4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]phenyl]sulfonylbenzamide Openeye Name: N-[4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]phenyl]sulfonylbenzamide CAS Name: N-[4-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]phenyl]sulfonylbenzamide Traditional Name: N-[4-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]phenyl]sulfonylbenzamide Formula: C30H29N3O5S MolecularWeight: 543.63336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4)OC1CNCC(C5=CN=CC=C5)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)C4=CC=CC=C4)OC1CNCC(C5=CN=CC=C5)O

InChI

InChI=1S/C30H29N3O5S/c34-28(25-7-4-16-31-18-25)20-32-19-26-12-8-24-17-23(11-15-29(24)38-26)21-9-13-27(14-10-21)39(36,37)33-30(35)22-5-2-1-3-6-22/h1-7,9-11,13-18,26,28,32,34H,8,12,19-20H2,(H,33,35)