N-[4-[(2S)-butan-2-yl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[4-[(1S)-1-methylpropyl]phenyl]propanamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanamide Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[4-[(1S)-1-methylpropyl]phenyl]propionamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25NO5S/c1-3-15(2)16-4-6-17(7-5-16)22-21(23)10-13-28(24,25)18-8-9-19-20(14-18)27-12-11-26-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23)/t15-/m0/s1