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

Systemtic Name: 3-chloranyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[4-(4-methylpiperazino)sulfonylphenyl]adamantane-1-carboxamide Formula: C22H30ClN3O3S MolecularWeight: 452.0099

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H30ClN3O3S/c1-25-6-8-26(9-7-25)30(28,29)19-4-2-18(3-5-19)24-20(27)21-11-16-10-17(12-21)14-22(23,13-16)15-21/h2-5,16-17H,6-15H2,1H3,(H,24,27)