N-[1-(1-adamantyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCNC(=O)C5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC=C4)S(=O)(=O)N5CCNC(=O)C5

InChI

InChI=1S/C23H31N3O4S/c1-15(23-11-16-7-17(12-23)9-18(8-16)13-23)25-22(28)19-3-2-4-20(10-19)31(29,30)26-6-5-24-21(27)14-26/h2-4,10,15-18H,5-9,11-14H2,1H3,(H,24,27)(H,25,28)