N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-3-keto-propyl]adamantane-1-carboxamide Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O4S/c1-18-3-4-23(19(2)11-18)34(32,33)29-9-7-28(8-10-29)24(30)5-6-27-25(31)26-15-20-12-21(16-26)14-22(13-20)17-26/h3-4,11,20-22H,5-10,12-17H2,1-2H3,(H,27,31)