N-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine

Systemtic Name: N-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine Openeye Name: N-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine CAS Name: N-[5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-2-adamantanamine IUPAC Name: N-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]adamantan-2-amine Traditional Name: 2-adamantyl-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C26H30Cl2N4O4S MolecularWeight: 565.5118

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H30Cl2N4O4S/c27-22-3-2-21(15-23(22)28)37(35,36)31-7-5-30(6-8-31)20-1-4-25(32(33)34)24(14-20)29-26-18-10-16-9-17(12-18)13-19(26)11-16/h1-4,14-19,26,29H,5-13H2