3-(azepan-1-yl)-N-(1-methoxypropan-2-yl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide

Systemtic Name: 3-(azepan-1-yl)-N-(1-methoxypropan-2-yl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2-methoxy-1-methyl-ethyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(1-methoxypropan-2-yl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(1-methoxypropan-2-yl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-(2-methoxy-1-methyl-ethyl)naphthalene-2-sulfonamide Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

Isomeric SMILES

CC(COC)NS(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

InChI

InChI=1S/C20H26N2O5S/c1-14(13-27-2)21-28(25,26)20-17(22-11-7-3-4-8-12-22)18(23)15-9-5-6-10-16(15)19(20)24/h5-6,9-10,14,21H,3-4,7-8,11-13H2,1-2H3