6-[bis(pyridin-2-ylmethyl)amino]-N-[2-(2-hydroxyethylsulfonyl)-5-nitro-phenyl]hexanamide

Systemtic Name: 6-[bis(pyridin-2-ylmethyl)amino]-N-[2-(2-hydroxyethylsulfonyl)-5-nitro-phenyl]hexanamide Openeye Name: 6-[bis(2-pyridylmethyl)amino]-N-[2-(2-hydroxyethylsulfonyl)-5-nitro-phenyl]hexanamide CAS Name: 6-[bis(2-pyridinylmethyl)amino]-N-[2-(2-hydroxyethylsulfonyl)-5-nitrophenyl]hexanamide IUPAC Name: 6-[bis(pyridin-2-ylmethyl)amino]-N-[2-(2-hydroxyethylsulfonyl)-5-nitrophenyl]hexanamide Traditional Name: 6-[bis(2-pyridylmethyl)amino]-N-[2-(2-hydroxyethylsulfonyl)-5-nitro-phenyl]hexanamide Formula: C26H31N5O6S MolecularWeight: 541.61924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCCCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)CCO)CC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)CN(CCCCCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])S(=O)(=O)CCO)CC3=CC=CC=N3

InChI

InChI=1S/C26H31N5O6S/c32-16-17-38(36,37)25-12-11-23(31(34)35)18-24(25)29-26(33)10-2-1-7-15-30(19-21-8-3-5-13-27-21)20-22-9-4-6-14-28-22/h3-6,8-9,11-14,18,32H,1-2,7,10,15-17,19-20H2,(H,29,33)