N-(2,6-diethylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,6-diethylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2,6-diethylphenyl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2,6-diethylphenyl)-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2,6-diethylphenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,6-diethylphenyl)-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-3-15-6-5-7-16(4-2)20(15)23-21(26)17-8-10-18(11-9-17)29(27,28)24-13-12-22-19(25)14-24/h5-11H,3-4,12-14H2,1-2H3,(H,22,25)(H,23,26)