N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]aniline

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]aniline Openeye Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]aniline CAS Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]aniline Traditional Name: 1-(1-adamantyl)ethyl-[2-nitro-5-[4-(3-nitrophenyl)sulfonylpiperazino]phenyl]amine Formula: C28H35N5O6S MolecularWeight: 569.6724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CC(=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=CC(=C4)N5CCN(CC5)S(=O)(=O)C6=CC=CC(=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H35N5O6S/c1-19(28-16-20-11-21(17-28)13-22(12-20)18-28)29-26-15-23(5-6-27(26)33(36)37)30-7-9-31(10-8-30)40(38,39)25-4-2-3-24(14-25)32(34)35/h2-6,14-15,19-22,29H,7-13,16-18H2,1H3