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

Systemtic Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: 1-(1-adamantyl)ethyl-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C30H40N4O4S MolecularWeight: 552.728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C30H40N4O4S/c1-20-4-6-27(12-21(20)2)39(37,38)33-10-8-32(9-11-33)26-5-7-29(34(35)36)28(16-26)31-22(3)30-17-23-13-24(18-30)15-25(14-23)19-30/h4-7,12,16,22-25,31H,8-11,13-15,17-19H2,1-3H3