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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]aniline Openeye Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]aniline CAS Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]aniline Traditional Name: 1-(1-adamantyl)ethyl-[2-nitro-5-[4-(2-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(28-16-20-12-21(17-28)14-22(13-20)18-28)29-24-15-23(6-7-25(24)32(34)35)30-8-10-31(11-9-30)40(38,39)27-5-3-2-4-26(27)33(36)37/h2-7,15,19-22,29H,8-14,16-18H2,1H3