N-(2-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-3-nitro-benzamide Formula: C27H30Cl2N4O5S MolecularWeight: 593.5219

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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=CC(=C(C=C6)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H30Cl2N4O5S/c28-22-3-2-21(15-23(22)29)39(37,38)32-7-5-31(6-8-32)24-4-1-18(14-25(24)33(35)36)27(34)30-26-19-10-16-9-17(12-19)13-20(26)11-16/h1-4,14-17,19-20,26H,5-13H2,(H,30,34)