N-[2-(1-adamantyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(1-adamantyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(1-adamantyl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(1-adamantyl)ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC(=O)N1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O4S/c27-21-15-26(7-6-24-21)31(29,30)20-3-1-2-19(11-20)22(28)25-5-4-23-12-16-8-17(13-23)10-18(9-16)14-23/h1-3,11,16-18H,4-10,12-15H2,(H,24,27)(H,25,28)