[[4-(4-bromophenyl)piperidin-1-yl]sulfonyl-(pyridin-3-ylmethyl)amino] 3-methylbutanoate

Systemtic Name: [[4-(4-bromophenyl)piperidin-1-yl]sulfonyl-(pyridin-3-ylmethyl)amino] 3-methylbutanoate Openeye Name: [[4-(4-bromophenyl)-1-piperidyl]sulfonyl-(3-pyridylmethyl)amino] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [[4-(4-bromophenyl)-1-piperidinyl]sulfonyl-(3-pyridinylmethyl)amino] ester IUPAC Name: [[4-(4-bromophenyl)piperidin-1-yl]sulfonyl-(pyridin-3-ylmethyl)amino] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [[4-(4-bromophenyl)piperidino]sulfonyl-(3-pyridylmethyl)amino] ester Formula: C22H28BrN3O4S MolecularWeight: 510.44442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)ON(CC1=CN=CC=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CC(=O)ON(CC1=CN=CC=C1)S(=O)(=O)N2CCC(CC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H28BrN3O4S/c1-17(2)14-22(27)30-26(16-18-4-3-11-24-15-18)31(28,29)25-12-9-20(10-13-25)19-5-7-21(23)8-6-19/h3-8,11,15,17,20H,9-10,12-14,16H2,1-2H3