1-(azepan-1-ylsulfonyl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[(5-bromo-2-methoxy-phenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(5-bromo-2-methoxy-benzyl)nipecotamide Formula: C20H30BrN3O4S MolecularWeight: 488.4389

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H30BrN3O4S/c1-28-19-9-8-18(21)13-17(19)14-22-20(25)16-7-6-12-24(15-16)29(26,27)23-10-4-2-3-5-11-23/h8-9,13,16H,2-7,10-12,14-15H2,1H3,(H,22,25)