2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-fluoranyl-4-methyl-phenyl)propanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-N-(3-fluoro-4-methyl-phenyl)propanamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-N-(3-fluoro-4-methylphenyl)propanamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-N-(3-fluoro-4-methyl-phenyl)propionamide Formula: C18H21ClFN3O3S2 MolecularWeight: 445.959043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)F

InChI

InChI=1S/C18H21ClFN3O3S2/c1-12-3-4-14(11-15(12)20)21-18(24)13(2)22-7-9-23(10-8-22)28(25,26)17-6-5-16(19)27-17/h3-6,11,13H,7-10H2,1-2H3,(H,21,24)