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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(4S)-thiochroman-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[(4S)-thiochroman-4-yl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C18H19NO4S2 MolecularWeight: 377.47776

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NC3CCSC4=CC=CC=C34)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N[C@H]3CCSC4=CC=CC=C34)OC1

InChI

InChI=1S/C18H19NO4S2/c20-25(21,13-6-7-16-17(12-13)23-10-3-9-22-16)19-15-8-11-24-18-5-2-1-4-14(15)18/h1-2,4-7,12,15,19H,3,8-11H2/t15-/m0/s1