(3-chloranyl-1-adamantyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C22H28ClN3O6S MolecularWeight: 497.99222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H28ClN3O6S/c1-32-19-3-2-17(9-18(19)26(28)29)33(30,31)25-6-4-24(5-7-25)20(27)21-10-15-8-16(11-21)13-22(23,12-15)14-21/h2-3,9,15-16H,4-8,10-14H2,1H3