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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[1-(1-adamantyl)ethyl]-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-[1-(1-adamantyl)ethyl]-5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[1-(1-adamantyl)ethyl]-5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: 1-(1-adamantyl)ethyl-[5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C28H35ClN4O4S MolecularWeight: 559.1199

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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=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H35ClN4O4S/c1-19(28-16-20-12-21(17-28)14-22(13-20)18-28)30-26-15-24(4-7-27(26)33(34)35)31-8-10-32(11-9-31)38(36,37)25-5-2-23(29)3-6-25/h2-7,15,19-22,30H,8-14,16-18H2,1H3