4-(5-methyl-1-pentyl-pyrazol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(5-methyl-1-pentyl-pyrazol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(5-methyl-1-pentyl-pyrazol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(5-methyl-1-pentyl-4-pyrazolyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(5-methyl-1-pentylpyrazol-4-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1-amyl-5-methyl-pyrazol-4-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C30H33N5O5S2 MolecularWeight: 607.74352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=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-])C

Isomeric SMILES

CCCCCN1C(=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-])C

InChI

InChI=1S/C30H33N5O5S2/c1-3-4-8-18-34-22(2)27(21-32-34)23-11-13-24(14-12-23)30(36)33-42(39,40)26-15-16-28(29(20-26)35(37)38)31-17-19-41-25-9-6-5-7-10-25/h5-7,9-16,20-21,31H,3-4,8,17-19H2,1-2H3,(H,33,36)