4-(3-bromophenyl)sulfonyl-N-heptan-2-yl-piperazine-1-carboxamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-heptan-2-yl-piperazine-1-carboxamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-(1-methylhexyl)piperazine-1-carboxamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-heptan-2-yl-1-piperazinecarboxamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-heptan-2-ylpiperazine-1-carboxamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-(1-methylhexyl)piperazine-1-carboxamide Formula: C18H28BrN3O3S MolecularWeight: 446.40222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCC(C)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H28BrN3O3S/c1-3-4-5-7-15(2)20-18(23)21-10-12-22(13-11-21)26(24,25)17-9-6-8-16(19)14-17/h6,8-9,14-15H,3-5,7,10-13H2,1-2H3,(H,20,23)