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

Systemtic Name: ethyl 4-[3-(azepan-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(azepan-1-yl)-1,4-dioxo-2-naphthyl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(1-azepanyl)-1,4-dioxo-2-naphthalenyl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[[3-(azepan-1-yl)-1,4-diketo-2-naphthyl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C23H29N3O6S/c1-2-32-23(29)25-13-15-26(16-14-25)33(30,31)22-19(24-11-7-3-4-8-12-24)20(27)17-9-5-6-10-18(17)21(22)28/h5-6,9-10H,2-4,7-8,11-16H2,1H3