N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[(2S)-2-ethylpiperidino]sulfonylphenyl]-piperonylamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O5S/c1-2-17-5-3-4-12-23(17)29(25,26)18-9-7-16(8-10-18)22-21(24)15-6-11-19-20(13-15)28-14-27-19/h6-11,13,17H,2-5,12,14H2,1H3,(H,22,24)/t17-/m0/s1