N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-fluoranyl-5-oxidanyl-phenyl]-2-dodecylsulfonyl-3-methyl-butanamide

Systemtic Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-fluoranyl-5-oxidanyl-phenyl]-2-dodecylsulfonyl-3-methyl-butanamide Openeye Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-fluoro-5-hydroxy-phenyl]-2-dodecylsulfonyl-3-methyl-butanamide CAS Name: N-[4-[[(3,4-dichloroanilino)-oxomethyl]amino]-2-fluoro-5-hydroxyphenyl]-2-dodecylsulfonyl-3-methylbutanamide IUPAC Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-fluoro-5-hydroxyphenyl]-2-dodecylsulfonyl-3-methylbutanamide Traditional Name: N-[4-[(3,4-dichlorophenyl)carbamoylamino]-2-fluoro-5-hydroxy-phenyl]-2-laurylsulfonyl-3-methyl-butyramide Formula: C30H42Cl2FN3O5S MolecularWeight: 646.640983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1F)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)O

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)C(C(C)C)C(=O)NC1=CC(=C(C=C1F)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)O

InChI

InChI=1S/C30H42Cl2FN3O5S/c1-4-5-6-7-8-9-10-11-12-13-16-42(40,41)28(20(2)3)29(38)35-25-19-27(37)26(18-24(25)33)36-30(39)34-21-14-15-22(31)23(32)17-21/h14-15,17-20,28,37H,4-13,16H2,1-3H3,(H,35,38)(H2,34,36,39)