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

Systemtic Name: 3-(azepan-1-yl)-1,4-bis(oxidanylidene)-N,N-dipropyl-naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-1,4-dioxo-N,N-dipropyl-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-1,4-dioxo-N,N-dipropyl-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-1,4-dioxo-N,N-dipropylnaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N,N-dipropyl-naphthalene-2-sulfonamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=C(C(=O)C2=CC=CC=C2C1=O)N3CCCCCC3

InChI

InChI=1S/C22H30N2O4S/c1-3-13-24(14-4-2)29(27,28)22-19(23-15-9-5-6-10-16-23)20(25)17-11-7-8-12-18(17)21(22)26/h7-8,11-12H,3-6,9-10,13-16H2,1-2H3