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

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)C(CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3)C4=CC=CO4

InChI

InChI=1S/C22H28N4O5S/c27-21-16-26(12-9-23-21)32(29,30)18-7-4-6-17(14-18)22(28)24-15-19(20-8-5-13-31-20)25-10-2-1-3-11-25/h4-8,13-14,19H,1-3,9-12,15-16H2,(H,23,27)(H,24,28)