N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-3,5-dinitro-benzamide Openeye Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-3,5-dinitro-benzamide CAS Name: N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methyl-3,5-dinitrobenzamide Traditional Name: N-[4-[4-(2-methoxyphenyl)piperazino]sulfonylphenyl]-2-methyl-3,5-dinitro-benzamide Formula: C25H25N5O8S MolecularWeight: 555.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H25N5O8S/c1-17-21(15-19(29(32)33)16-23(17)30(34)35)25(31)26-18-7-9-20(10-8-18)39(36,37)28-13-11-27(12-14-28)22-5-3-4-6-24(22)38-2/h3-10,15-16H,11-14H2,1-2H3,(H,26,31)