N-(3-chloranyl-4-methyl-phenyl)-2-fluoranyl-5-(4-propylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-fluoranyl-5-(4-propylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-fluoro-5-(4-propylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-2-fluoro-5-[(4-propyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-fluoro-5-(4-propylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-fluoro-5-(4-propylpiperazino)sulfonyl-benzamide Formula: C21H25ClFN3O3S MolecularWeight: 453.957903

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C21H25ClFN3O3S/c1-3-8-25-9-11-26(12-10-25)30(28,29)17-6-7-20(23)18(14-17)21(27)24-16-5-4-15(2)19(22)13-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,24,27)