(3-chloranyl-1-adamantyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]methanone Formula: C23H31ClN2O5S MolecularWeight: 483.02064

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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)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)OC

InChI

InChI=1S/C23H31ClN2O5S/c1-30-19-4-3-18(10-20(19)31-2)32(28,29)26-7-5-25(6-8-26)21(27)22-11-16-9-17(12-22)14-23(24,13-16)15-22/h3-4,10,16-17H,5-9,11-15H2,1-2H3