N-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine

Systemtic Name: N-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine Openeye Name: N-[2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]adamantan-2-amine CAS Name: N-[5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-2-adamantanamine IUPAC Name: N-[5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]adamantan-2-amine Traditional Name: 2-adamantyl-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C27H34N4O4S/c1-18-2-5-24(6-3-18)36(34,35)30-10-8-29(9-11-30)23-4-7-26(31(32)33)25(17-23)28-27-21-13-19-12-20(15-21)16-22(27)14-19/h2-7,17,19-22,27-28H,8-16H2,1H3