N-(3-chloranyl-2-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23ClN2O5S/c1-14-17(22)3-2-4-18(14)23-21(25)15-7-9-24(10-8-15)30(26,27)16-5-6-19-20(13-16)29-12-11-28-19/h2-6,13,15H,7-12H2,1H3,(H,23,25)