N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-octylpyrazol-4-yl)benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-octylpyrazol-4-yl)benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-octylpyrazol-4-yl)benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1-octyl-4-pyrazolyl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-(1-octylpyrazol-4-yl)benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1-octylpyrazol-4-yl)benzamide Formula: C32H37N5O5S2 MolecularWeight: 635.79668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCN1C=C(C=N1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H37N5O5S2/c1-2-3-4-5-6-10-20-36-24-27(23-34-36)25-13-15-26(16-14-25)32(38)35-44(41,42)29-17-18-30(31(22-29)37(39)40)33-19-21-43-28-11-8-7-9-12-28/h7-9,11-18,22-24,33H,2-6,10,19-21H2,1H3,(H,35,38)