N-(3-bromophenyl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(3-bromophenyl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-bromophenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-(3-bromophenyl)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(3-bromophenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-nipecotamide Formula: C19H20BrClN2O4S MolecularWeight: 487.7951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C19H20BrClN2O4S/c1-27-18-8-7-16(11-17(18)21)28(25,26)23-9-3-4-13(12-23)19(24)22-15-6-2-5-14(20)10-15/h2,5-8,10-11,13H,3-4,9,12H2,1H3,(H,22,24)