N-(4-bromophenyl)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(4-bromophenyl)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]propanamide CAS Name: N-(4-bromophenyl)-2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]propanamide IUPAC Name: N-(4-bromophenyl)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(4-bromophenyl)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]propionamide Formula: C17H19BrClN3O3S2 MolecularWeight: 492.83806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H19BrClN3O3S2/c1-12(17(23)20-14-4-2-13(18)3-5-14)21-8-10-22(11-9-21)27(24,25)16-7-6-15(19)26-16/h2-7,12H,8-11H2,1H3,(H,20,23)