4-[3-[(3S)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-oxidanylidene-azepan-1-yl]-2-oxidanylidene-propyl]benzenecarboximidamide

Systemtic Name: 4-[3-[(3S)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-oxidanylidene-azepan-1-yl]-2-oxidanylidene-propyl]benzenecarboximidamide Openeye Name: 4-[3-[(3S)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-oxo-azepan-1-yl]-2-oxo-propyl]benzamidine CAS Name: 4-[3-[(3S)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-oxo-1-azepanyl]-2-oxopropyl]benzenecarboximidamide IUPAC Name: 4-[3-[(3S)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-oxoazepan-1-yl]-2-oxopropyl]benzenecarboximidamide Traditional Name: 4-[3-[(3S)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-keto-azepan-1-yl]-2-keto-propyl]benzamidine Formula: C24H30N4O6S MolecularWeight: 502.5832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2CCCCN(C2=O)CC(=O)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N[C@H]2CCCCN(C2=O)CC(=O)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H30N4O6S/c1-33-19-10-11-21(34-2)22(14-19)35(31,32)27-20-5-3-4-12-28(24(20)30)15-18(29)13-16-6-8-17(9-7-16)23(25)26/h6-11,14,20,27H,3-5,12-13,15H2,1-2H3,(H3,25,26)/t20-/m0/s1