N-[(2S)-butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2S)-butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H19NO4S/c1-3-10(2)14-19(15,16)11-5-6-12-13(9-11)18-8-4-7-17-12/h5-6,9-10,14H,3-4,7-8H2,1-2H3/t10-/m0/s1