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

Systemtic Name: 4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(4-p-anisoylpiperazino)benzamide Formula: C33H33N5O7S2 MolecularWeight: 675.77442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H33N5O7S2/c1-45-27-13-9-25(10-14-27)33(40)37-20-18-36(19-21-37)26-11-7-24(8-12-26)32(39)35-47(43,44)29-15-16-30(31(23-29)38(41)42)34-17-22-46-28-5-3-2-4-6-28/h2-16,23,34H,17-22H2,1H3,(H,35,39)