N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-piperonylamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-14-3-2-10-22(12-14)28(24,25)17-7-5-16(6-8-17)21-20(23)15-4-9-18-19(11-15)27-13-26-18/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,21,23)/t14-/m0/s1