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

Systemtic Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(1S)-4-(diethylamino)-1-methyl-butyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2S)-5-(diethylamino)pentan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(1S)-4-(diethylamino)-1-methyl-butyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-4-20(5-2)11-6-8-15(3)19-25(21,22)16-9-10-17-18(14-16)24-13-7-12-23-17/h9-10,14-15,19H,4-8,11-13H2,1-3H3/t15-/m0/s1