N-[2-(4-methylsulfanylphenyl)ethyl]-1-morpholin-4-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-morpholin-4-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-morpholinosulfonyl-piperidine-3-carboxamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-1-(4-morpholinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[4-(methylthio)phenyl]ethyl]-1-morpholinosulfonyl-nipecotamide Formula: C19H29N3O4S2 MolecularWeight: 427.58126

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H29N3O4S2/c1-27-18-6-4-16(5-7-18)8-9-20-19(23)17-3-2-10-22(15-17)28(24,25)21-11-13-26-14-12-21/h4-7,17H,2-3,8-15H2,1H3,(H,20,23)