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

Systemtic Name: 4-[(2S)-butan-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H23NO4S/c1-3-14(2)15-5-8-17(9-6-15)25(21,22)20-16-7-10-18-19(13-16)24-12-4-11-23-18/h5-10,13-14,20H,3-4,11-12H2,1-2H3/t14-/m0/s1