2-(azepan-1-yl)-3-piperidin-1-ylsulfonyl-naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-piperidin-1-ylsulfonyl-naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(1-piperidylsulfonyl)naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-(1-piperidinylsulfonyl)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-piperidin-1-ylsulfonylnaphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-piperidinosulfonyl-1,4-naphthoquinone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H26N2O4S/c24-19-16-10-4-5-11-17(16)20(25)21(18(19)22-12-6-1-2-7-13-22)28(26,27)23-14-8-3-9-15-23/h4-5,10-11H,1-3,6-9,12-15H2