N-(1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O5S/c1-15-4-2-3-5-17(15)13-29(25,26)23-10-8-16(9-11-23)21(24)22-18-6-7-19-20(12-18)28-14-27-19/h2-7,12,16H,8-11,13-14H2,1H3,(H,22,24)