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

Systemtic Name: 3-[2-[[(2-oxidanyl-2-pyridin-3-yl-ethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-N-propylsulfonyl-benzamide Openeye Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-N-propylsulfonyl-benzamide CAS Name: 3-[2-[[[2-hydroxy-2-(3-pyridinyl)ethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-N-propylsulfonylbenzamide IUPAC Name: 3-[2-[[(2-hydroxy-2-pyridin-3-ylethyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]-N-propylsulfonylbenzamide Traditional Name: 3-[2-[[[2-hydroxy-2-(3-pyridyl)ethyl]amino]methyl]chroman-6-yl]-N-propylsulfonyl-benzamide Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

Isomeric SMILES

CCCS(=O)(=O)NC(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(C4=CN=CC=C4)O

InChI

InChI=1S/C27H31N3O5S/c1-2-13-36(33,34)30-27(32)22-6-3-5-19(15-22)20-9-11-26-21(14-20)8-10-24(35-26)17-29-18-25(31)23-7-4-12-28-16-23/h3-7,9,11-12,14-16,24-25,29,31H,2,8,10,13,17-18H2,1H3,(H,30,32)