3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[4-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[4-(4-ethylpiperazino)sulfonylphenyl]adamantane-1-carboxamide Formula: C23H32ClN3O3S MolecularWeight: 466.03648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C23H32ClN3O3S/c1-2-26-7-9-27(10-8-26)31(29,30)20-5-3-19(4-6-20)25-21(28)22-12-17-11-18(13-22)15-23(24,14-17)16-22/h3-6,17-18H,2,7-16H2,1H3,(H,25,28)