[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [(1S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H30N2O8S MolecularWeight: 518.5793

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H30N2O8S/c1-17(24(28)26-18-7-9-22-23(15-18)34-14-13-33-22)35-25(29)20-16-19(8-10-21(20)32-2)36(30,31)27-11-5-3-4-6-12-27/h7-10,15-17H,3-6,11-14H2,1-2H3,(H,26,28)/t17-/m0/s1