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

Systemtic Name: N-(2-methylphenyl)sulfonyl-3-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]benzamide Openeye Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-N-(o-tolylsulfonyl)benzamide CAS Name: 3-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-N-(2-methylphenyl)sulfonylbenzamide IUPAC Name: 3-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-N-(2-methylphenyl)sulfonylbenzamide Traditional Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-N-(o-tolylsulfonyl)benzamide Formula: C31H31N3O5S MolecularWeight: 557.65994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O

InChI

InChI=1S/C31H31N3O5S/c1-21-6-2-3-10-30(21)40(37,38)34-31(36)25-8-4-7-22(17-25)23-12-14-29-24(16-23)11-13-27(39-29)19-33-20-28(35)26-9-5-15-32-18-26/h2-10,12,14-18,27-28,33,35H,11,13,19-20H2,1H3,(H,34,36)