N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-[(4-methyl-1-piperidyl)sulfonyl]piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-[(4-methyl-1-piperidinyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-(4-methylpiperidino)sulfonyl-isonipecotamide Formula: C20H30BrN3O4S MolecularWeight: 488.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H30BrN3O4S/c1-15-5-9-23(10-6-15)29(26,27)24-11-7-16(8-12-24)20(25)22-14-17-13-18(21)3-4-19(17)28-2/h3-4,13,15-16H,5-12,14H2,1-2H3,(H,22,25)