N-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine

Systemtic Name: N-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]adamantan-2-amine Openeye Name: N-[5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-phenyl]adamantan-2-amine CAS Name: N-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-2-adamantanamine IUPAC Name: N-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitrophenyl]adamantan-2-amine Traditional Name: 2-adamantyl-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]amine Formula: C30H34N4O4S MolecularWeight: 546.68036

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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=CC7=CC=CC=C7C=C6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5)S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

InChI=1S/C30H34N4O4S/c35-34(36)29-8-6-26(19-28(29)31-30-24-14-20-13-21(16-24)17-25(30)15-20)32-9-11-33(12-10-32)39(37,38)27-7-5-22-3-1-2-4-23(22)18-27/h1-8,18-21,24-25,30-31H,9-17H2