N-(3-butoxypropyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-butoxypropyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-butoxypropyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-butoxypropyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-butoxypropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-butoxypropyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

Isomeric SMILES

CCCCOCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2

InChI

InChI=1S/C18H27N3O5S/c1-2-3-11-26-12-5-8-20-18(23)15-6-4-7-16(13-15)27(24,25)21-10-9-19-17(22)14-21/h4,6-7,13H,2-3,5,8-12,14H2,1H3,(H,19,22)(H,20,23)