ethyl 4-[[3-(azepan-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfonylamino]benzoate

Systemtic Name: ethyl 4-[[3-(azepan-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfonylamino]benzoate Openeye Name: ethyl 4-[[3-(azepan-1-yl)-1,4-dioxo-2-naphthyl]sulfonylamino]benzoate CAS Name: 4-[[3-(1-azepanyl)-1,4-dioxo-2-naphthalenyl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]sulfonylamino]benzoate Traditional Name: 4-[[3-(azepan-1-yl)-1,4-diketo-2-naphthyl]sulfonylamino]benzoic acid ethyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C25H26N2O6S/c1-2-33-25(30)17-11-13-18(14-12-17)26-34(31,32)24-21(27-15-7-3-4-8-16-27)22(28)19-9-5-6-10-20(19)23(24)29/h5-6,9-14,26H,2-4,7-8,15-16H2,1H3