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

Systemtic Name: 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2-furylmethyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-(2-furanylmethyl)-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-N-(2-furfuryl)-1,4-diketo-naphthalene-2-sulfonamide Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H22N2O5S/c24-19-16-9-3-4-10-17(16)20(25)21(18(19)23-11-5-1-2-6-12-23)29(26,27)22-14-15-8-7-13-28-15/h3-4,7-10,13,22H,1-2,5-6,11-12,14H2