N-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxidanylidenepiperazin-1-yl)ethoxy]benzamide

Systemtic Name: N-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxidanylidenepiperazin-1-yl)ethoxy]benzamide Openeye Name: N-[4-chloro-3-(2-pyridyl)phenyl]-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide CAS Name: N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonylmethyl)-3-[2-(3-oxo-1-piperazinyl)ethoxy]benzamide IUPAC Name: N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)-3-[2-(3-oxopiperazin-1-yl)ethoxy]benzamide Traditional Name: N-[4-chloro-3-(2-pyridyl)phenyl]-3-[2-(3-ketopiperazino)ethoxy]-4-(mesylmethyl)benzamide Formula: C26H27ClN4O5S MolecularWeight: 543.03438

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)OCCN4CCNC(=O)C4

Isomeric SMILES

CS(=O)(=O)CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)OCCN4CCNC(=O)C4

InChI

InChI=1S/C26H27ClN4O5S/c1-37(34,35)17-19-6-5-18(14-24(19)36-13-12-31-11-10-29-25(32)16-31)26(33)30-20-7-8-22(27)21(15-20)23-4-2-3-9-28-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,32)(H,30,33)