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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: 1-(1-adamantyl)ethyl-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C30H40N4O6S MolecularWeight: 584.7268

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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)OC)OC)[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)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C30H40N4O6S/c1-20(30-17-21-12-22(18-30)14-23(13-21)19-30)31-26-15-24(4-6-27(26)34(35)36)32-8-10-33(11-9-32)41(37,38)25-5-7-28(39-2)29(16-25)40-3/h4-7,15-16,20-23,31H,8-14,17-19H2,1-3H3