N-(3-chloranyl-2,6-diethyl-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H24ClN3O4S/c1-3-14-8-9-18(22)17(4-2)20(14)24-21(27)15-6-5-7-16(12-15)30(28,29)25-11-10-23-19(26)13-25/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,23,26)(H,24,27)