ethyl 4-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(3-chloranyl-1-adamantyl)carbonyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-chloro-1-adamantyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chloroadamantane-1-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-chloroadamantane-1-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C24H31ClN2O5S MolecularWeight: 495.03134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN2O5S/c1-2-32-21(28)19-3-5-20(6-4-19)33(30,31)27-9-7-26(8-10-27)22(29)23-12-17-11-18(13-23)15-24(25,14-17)16-23/h3-6,17-18H,2,7-16H2,1H3