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

Systemtic Name: N-[5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine Openeye Name: N-[5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine CAS Name: N-[5-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-2-adamantanamine IUPAC Name: N-[5-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]adamantan-2-amine Traditional Name: 2-adamantyl-[5-(4-brosylpiperazino)-2-nitro-phenyl]amine Formula: C26H31BrN4O4S MolecularWeight: 575.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)S(=O)(=O)C6=CC=C(C=C6)Br

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)S(=O)(=O)C6=CC=C(C=C6)Br

InChI

InChI=1S/C26H31BrN4O4S/c27-21-1-4-23(5-2-21)36(34,35)30-9-7-29(8-10-30)22-3-6-25(31(32)33)24(16-22)28-26-19-12-17-11-18(14-19)15-20(26)13-17/h1-6,16-20,26,28H,7-15H2