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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Br)Cl

InChI

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