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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Br)Cl

InChI

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