N-(1-adamantyl)-3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]benzamide

Systemtic Name: N-(1-adamantyl)-3-nitro-4-[4-(phenylsulfonyl)piperazin-1-yl]benzamide Openeye Name: N-(1-adamantyl)-4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-(benzenesulfonyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(benzenesulfonyl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(4-besylpiperazino)-3-nitro-benzamide Formula: C27H32N4O5S MolecularWeight: 524.63178

Click to see the large picture

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=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O5S/c32-26(28-27-16-19-12-20(17-27)14-21(13-19)18-27)22-6-7-24(25(15-22)31(33)34)29-8-10-30(11-9-29)37(35,36)23-4-2-1-3-5-23/h1-7,15,19-21H,8-14,16-18H2,(H,28,32)