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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(2-propylpentanoyl)piperazin-1-yl]benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(2-propylpentanoyl)piperazin-1-yl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(1-oxo-2-propylpentyl)-1-piperazinyl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(2-propylpentanoyl)piperazin-1-yl]benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(2-propylpentanoyl)piperazino]benzamide Formula: C33H41N5O6S2 MolecularWeight: 667.83854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)C(=O)N1CCN(CC1)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/C33H41N5O6S2/c1-3-8-26(9-4-2)33(40)37-21-19-36(20-22-37)27-14-12-25(13-15-27)32(39)35-46(43,44)29-16-17-30(31(24-29)38(41)42)34-18-23-45-28-10-6-5-7-11-28/h5-7,10-17,24,26,34H,3-4,8-9,18-23H2,1-2H3,(H,35,39)