N-[1-(4-ethylphenyl)ethyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-3-16-7-9-17(10-8-16)15(2)23-21(26)18-5-4-6-19(13-18)29(27,28)24-12-11-22-20(25)14-24/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,26)