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

Systemtic Name: N-(1-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-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)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-])S(=O)(=O)C6=CC(=C(C=C6)Cl)Cl

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)Cl)Cl

InChI

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