2-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-pentanoyl-amino]-N-[(4-fluorophenyl)methyl]-3-methyl-butanamide

Systemtic Name: 2-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-pentanoyl-amino]-N-[(4-fluorophenyl)methyl]-3-methyl-butanamide Openeye Name: 2-[[4-[2-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-pentanoyl-amino]-N-[(4-fluorophenyl)methyl]-3-methyl-butanamide CAS Name: 2-[[4-[2-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]phenyl]methyl-(1-oxopentyl)amino]-N-[(4-fluorophenyl)methyl]-3-methylbutanamide IUPAC Name: 2-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl-pentanoylamino]-N-[(4-fluorophenyl)methyl]-3-methylbutanamide Traditional Name: 2-[[4-[2-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]benzyl]-valeryl-amino]-N-(4-fluorobenzyl)-3-methyl-butyramide Formula: C35H41FN4O5S MolecularWeight: 648.787243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC3=C(C(=NO3)C)C)C(C(C)C)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)NC3=C(C(=NO3)C)C)C(C(C)C)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C35H41FN4O5S/c1-6-7-12-32(41)40(33(23(2)3)34(42)37-21-26-15-19-29(36)20-16-26)22-27-13-17-28(18-14-27)30-10-8-9-11-31(30)46(43,44)39-35-24(4)25(5)38-45-35/h8-11,13-20,23,33,39H,6-7,12,21-22H2,1-5H3,(H,37,42)