N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-1-mesyl-nipecotamide Formula: C19H29N3O6S2 MolecularWeight: 459.58006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H29N3O6S2/c1-3-28-17-9-8-16(13-18(17)30(26,27)21-10-4-5-11-21)20-19(23)15-7-6-12-22(14-15)29(2,24)25/h8-9,13,15H,3-7,10-12,14H2,1-2H3,(H,20,23)