(3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-nipecotamide Formula: C19H19BrClFN2O4S MolecularWeight: 505.785563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=C(C=C(C=C3)Br)F)Cl

InChI

InChI=1S/C19H19BrClFN2O4S/c1-28-18-7-5-14(10-15(18)21)29(26,27)24-8-2-3-12(11-24)19(25)23-17-6-4-13(20)9-16(17)22/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,23,25)/t12-/m0/s1