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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-methylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-methylsulfonyl-piperidine-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-1-methylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-1-methylsulfonylpiperidine-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-1-mesyl-pipecolinamide Formula: C20H31N3O6S2 MolecularWeight: 473.60664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CCCCN3S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CCCCN3S(=O)(=O)C

InChI

InChI=1S/C20H31N3O6S2/c1-29-19-11-10-16(31(27,28)22-12-6-3-4-7-13-22)15-17(19)21-20(24)18-9-5-8-14-23(18)30(2,25)26/h10-11,15,18H,3-9,12-14H2,1-2H3,(H,21,24)