N-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]adamantan-2-amine

Systemtic Name: N-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]adamantan-2-amine Openeye Name: N-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine CAS Name: N-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-2-adamantanamine IUPAC Name: N-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]adamantan-2-amine Traditional Name: 2-adamantyl-[5-(4-besylpiperazino)-2-nitro-phenyl]amine Formula: C26H32N4O4S MolecularWeight: 496.62168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O4S/c31-30(32)25-7-6-22(17-24(25)27-26-20-13-18-12-19(15-20)16-21(26)14-18)28-8-10-29(11-9-28)35(33,34)23-4-2-1-3-5-23/h1-7,17-21,26-27H,8-16H2