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

Systemtic Name: N-(1-adamantyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(2-naphthylsulfonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(1-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)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])S(=O)(=O)C6=CC7=CC=CC=C7C=C6

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])S(=O)(=O)C6=CC7=CC=CC=C7C=C6

InChI

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