3-chloranyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]adamantane-1-carboxamide Formula: C23H32ClN3O4S MolecularWeight: 482.03588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN3O4S/c1-26-5-7-27(8-6-26)32(29,30)18-3-4-20(31-2)19(10-18)25-21(28)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,(H,25,28)