N-(2-adamantyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-[4-(2-naphthylsulfonyl)piperazino]-3-nitro-benzamide Formula: C31H34N4O5S MolecularWeight: 574.69046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N4O5S/c36-31(32-30-25-14-20-13-21(16-25)17-26(30)15-20)24-6-8-28(29(19-24)35(37)38)33-9-11-34(12-10-33)41(39,40)27-7-5-22-3-1-2-4-23(22)18-27/h1-8,18-21,25-26,30H,9-17H2,(H,32,36)