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N-(4-butylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

N-(4-butylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

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

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3


Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3


InChI

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


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