(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

Systemtic Name: (2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-methyl-2,3-dihydroindole-5-sulfonamide Openeye Name: (2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-methyl-indoline-5-sulfonamide CAS Name: (2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-methyl-2,3-dihydroindole-5-sulfonamide IUPAC Name: (2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-methyl-2,3-dihydroindole-5-sulfonamide Traditional Name: (2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-methyl-indoline-5-sulfonamide Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C=CC(=C2)S(=O)(=O)N

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)C=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C18H20N2O6S2/c1-12-9-13-10-14(27(19,21)22)3-5-16(13)20(12)28(23,24)15-4-6-17-18(11-15)26-8-2-7-25-17/h3-6,10-12H,2,7-9H2,1H3,(H2,19,21,22)/t12-/m0/s1