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

Systemtic Name: N-(4-methoxyphenyl)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-(4-methoxyphenyl)sulfonyl-benzamide CAS Name: 3-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-N-(4-methoxyphenyl)sulfonylbenzamide IUPAC Name: 3-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-N-(4-methoxyphenyl)sulfonylbenzamide Traditional Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-N-(4-methoxyphenyl)sulfonyl-benzamide Formula: C31H31N3O6S MolecularWeight: 573.65934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC(=C2)C3=CC4=C(C=C3)OC(CC4)CNCC(C5=CN=CC=C5)O

InChI

InChI=1S/C31H31N3O6S/c1-39-26-10-12-28(13-11-26)41(37,38)34-31(36)24-5-2-4-21(17-24)22-8-14-30-23(16-22)7-9-27(40-30)19-33-20-29(35)25-6-3-15-32-18-25/h2-6,8,10-18,27,29,33,35H,7,9,19-20H2,1H3,(H,34,36)