N-(1-adamantyl)-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(4-brosylpiperazino)-3-nitro-benzamide Formula: C27H31BrN4O5S MolecularWeight: 603.52784

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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=CC=C(C=C6)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrN4O5S/c28-22-2-4-23(5-3-22)38(36,37)31-9-7-30(8-10-31)24-6-1-21(14-25(24)32(34)35)26(33)29-27-15-18-11-19(16-27)13-20(12-18)17-27/h1-6,14,18-20H,7-13,15-17H2,(H,29,33)