N-[4-[2-(4-methylphenyl)sulfonylbutanoylamino]-5-(4-nitrophenoxy)-2-oxidanyl-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-[2-(4-methylphenyl)sulfonylbutanoylamino]-5-(4-nitrophenoxy)-2-oxidanyl-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-hydroxy-5-(4-nitrophenoxy)-4-[2-(p-tolylsulfonyl)butanoylamino]phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-hydroxy-4-[[2-(4-methylphenyl)sulfonyl-1-oxobutyl]amino]-5-(4-nitrophenoxy)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]-5-(4-nitrophenoxy)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-hydroxy-5-(4-nitrophenoxy)-4-(2-tosylbutanoylamino)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C33H29N5O8S MolecularWeight: 655.67706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)O)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)O)NC(=O)C2=CN(N=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H29N5O8S/c1-3-31(47(44,45)26-15-9-21(2)10-16-26)33(41)36-28-17-29(39)27(18-30(28)46-25-13-11-24(12-14-25)38(42)43)35-32(40)22-19-34-37(20-22)23-7-5-4-6-8-23/h4-20,31,39H,3H2,1-2H3,(H,35,40)(H,36,41)