(3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[3-(4-morpholin-4-iumyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C21H33ClN3O5S+ MolecularWeight: 475.02182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC[NH+]3CCOCC3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCC[NH+]3CCOCC3)Cl

InChI

InChI=1S/C21H32ClN3O5S/c1-2-30-20-7-6-18(15-19(20)22)31(27,28)25-10-3-5-17(16-25)21(26)23-8-4-9-24-11-13-29-14-12-24/h6-7,15,17H,2-5,8-14,16H2,1H3,(H,23,26)/p+1/t17-/m0/s1