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

Systemtic Name: 3-(azepan-1-yl)-N-butan-2-yl-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-1,4-dioxo-N-sec-butyl-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-butan-2-yl-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-butan-2-yl-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-sec-butyl-naphthalene-2-sulfonamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-3-14(2)21-27(25,26)20-17(22-12-8-4-5-9-13-22)18(23)15-10-6-7-11-16(15)19(20)24/h6-7,10-11,14,21H,3-5,8-9,12-13H2,1-2H3