N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]-N-(3-pyridylmethyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]-N-(3-pyridinylmethyl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(2-mesylbenzyl)-4-piperidyl]-N-(3-pyridylmethyl)-piperonylamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1CN2CCC(CC2)N(CC3=CN=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O5S/c1-36(32,33)26-7-3-2-6-22(26)18-29-13-10-23(11-14-29)30(17-20-5-4-12-28-16-20)27(31)21-8-9-24-25(15-21)35-19-34-24/h2-9,12,15-16,23H,10-11,13-14,17-19H2,1H3