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

Systemtic Name: (3-chloranyl-1-adamantyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-1-adamantyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C23H31ClN2O3S MolecularWeight: 451.02184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Cl)C

InChI

InChI=1S/C23H31ClN2O3S/c1-16-3-4-20(9-17(16)2)30(28,29)26-7-5-25(6-8-26)21(27)22-11-18-10-19(12-22)14-23(24,13-18)15-22/h3-4,9,18-19H,5-8,10-15H2,1-2H3