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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O4S/c1-2-26(23-12-16-8-17(13-23)10-18(9-16)14-23)22(28)19-4-3-5-20(11-19)31(29,30)25-7-6-24-21(27)15-25/h3-5,11,16-18H,2,6-10,12-15H2,1H3,(H,24,27)