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

Systemtic Name: 2-(azepan-1-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(4-phenylpiperazin-1-yl)sulfonylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(4-phenylpiperazino)sulfonyl-1,4-naphthoquinone Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N3O4S/c30-24-21-12-6-7-13-22(21)25(31)26(23(24)28-14-8-1-2-9-15-28)34(32,33)29-18-16-27(17-19-29)20-10-4-3-5-11-20/h3-7,10-13H,1-2,8-9,14-19H2