N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-(diphenylmethyl)piperazin-1-yl]sulfonylphenyl]-3,5-dinitro-benzamide Openeye Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-3,5-dinitrobenzamide Traditional Name: N-[4-(4-benzhydrylpiperazino)sulfonylphenyl]-3,5-dinitro-benzamide Formula: C30H27N5O7S MolecularWeight: 601.62968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H27N5O7S/c36-30(24-19-26(34(37)38)21-27(20-24)35(39)40)31-25-11-13-28(14-12-25)43(41,42)33-17-15-32(16-18-33)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,19-21,29H,15-18H2,(H,31,36)