N-(4-bromanyl-3-chloranyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-3-chloranyl-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-3-chloro-phenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-3-chlorophenyl)-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-3-chlorophenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-3-chloro-phenyl)-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C21H24BrClN2O3S MolecularWeight: 499.84886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)Br)Cl)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)Br)Cl)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H24BrClN2O3S/c22-19-9-8-18(15-20(19)23)24-21(26)17-10-12-25(13-11-17)29(27,28)14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,15,17H,4,7,10-14H2,(H,24,26)