N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-esyl-isonipecotamide Formula: C21H33N3O6S2 MolecularWeight: 487.63322

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H33N3O6S2/c1-3-31(26,27)23-14-10-17(11-15-23)21(25)22-19-16-18(8-9-20(19)30-2)32(28,29)24-12-6-4-5-7-13-24/h8-9,16-17H,3-7,10-15H2,1-2H3,(H,22,25)