3-bromanyl-5-chloranyl-N-[5-chloranyl-2-oxidanyl-4-(2-pyridin-3-ylsulfonylbutanoylamino)phenyl]-4-(2-hexyldecoxy)benzamide

Systemtic Name: 3-bromanyl-5-chloranyl-N-[5-chloranyl-2-oxidanyl-4-(2-pyridin-3-ylsulfonylbutanoylamino)phenyl]-4-(2-hexyldecoxy)benzamide Openeye Name: 3-bromo-5-chloro-N-[5-chloro-2-hydroxy-4-[2-(3-pyridylsulfonyl)butanoylamino]phenyl]-4-(2-hexyldecoxy)benzamide CAS Name: 3-bromo-5-chloro-N-[5-chloro-2-hydroxy-4-[[1-oxo-2-(3-pyridinylsulfonyl)butyl]amino]phenyl]-4-(2-hexyldecoxy)benzamide IUPAC Name: 3-bromo-5-chloro-N-[5-chloro-2-hydroxy-4-(2-pyridin-3-ylsulfonylbutanoylamino)phenyl]-4-(2-hexyldecoxy)benzamide Traditional Name: 3-bromo-5-chloro-N-[5-chloro-2-hydroxy-4-[2-(3-pyridylsulfonyl)butanoylamino]phenyl]-4-(2-hexyldecoxy)benzamide Formula: C38H50BrCl2N3O6S MolecularWeight: 827.6951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COC1=C(C=C(C=C1Br)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(CC)S(=O)(=O)C3=CN=CC=C3)O)Cl

Isomeric SMILES

CCCCCCCCC(CCCCCC)COC1=C(C=C(C=C1Br)C(=O)NC2=C(C=C(C(=C2)Cl)NC(=O)C(CC)S(=O)(=O)C3=CN=CC=C3)O)Cl

InChI

InChI=1S/C38H50BrCl2N3O6S/c1-4-7-9-11-12-14-17-26(16-13-10-8-5-2)25-50-36-29(39)20-27(21-31(36)41)37(46)44-33-22-30(40)32(23-34(33)45)43-38(47)35(6-3)51(48,49)28-18-15-19-42-24-28/h15,18-24,26,35,45H,4-14,16-17,25H2,1-3H3,(H,43,47)(H,44,46)