N-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[3-(piperonyloylamino)phenyl]isonipecotamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6S/c1-31(27,28)24-9-7-14(8-10-24)20(25)22-16-3-2-4-17(12-16)23-21(26)15-5-6-18-19(11-15)30-13-29-18/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,25)(H,23,26)