2-(azepan-1-yl)-3-(4-ethylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(4-ethylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(4-ethylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-[(4-ethyl-1-piperazinyl)sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(4-ethylpiperazin-1-yl)sulfonylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(4-ethylpiperazino)sulfonyl-1,4-naphthoquinone Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=C(C(=O)C3=CC=CC=C3C2=O)N4CCCCCC4

InChI

InChI=1S/C22H29N3O4S/c1-2-23-13-15-25(16-14-23)30(28,29)22-19(24-11-7-3-4-8-12-24)20(26)17-9-5-6-10-18(17)21(22)27/h5-6,9-10H,2-4,7-8,11-16H2,1H3