6-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 6-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 6-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione CAS Name: 6-[[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]sulfonyl]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 6-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 6-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]sulfonyl-1,4-dihydroquinoxaline-2,3-quinone Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)C(=O)N4

InChI

InChI=1S/C20H27N5O5S/c26-18(24-7-3-1-2-4-8-24)14-23-9-11-25(12-10-23)31(29,30)15-5-6-16-17(13-15)22-20(28)19(27)21-16/h5-6,13H,1-4,7-12,14H2,(H,21,27)(H,22,28)