N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-pyrrolidin-1-ylsulfonyl-piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-pyrrolidinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-pyrrolidinosulfonyl-isonipecotamide Formula: C18H26BrN3O4S MolecularWeight: 460.38574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H26BrN3O4S/c1-26-17-5-4-16(19)12-15(17)13-20-18(23)14-6-10-22(11-7-14)27(24,25)21-8-2-3-9-21/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,20,23)