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

Systemtic Name: 3-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)-1,4-bis(oxidanylidene)naphthalene-2-sulfonamide Openeye Name: 3-(azepan-1-yl)-N-(2-morpholinoethyl)-1,4-dioxo-naphthalene-2-sulfonamide CAS Name: 3-(1-azepanyl)-N-[2-(4-morpholinyl)ethyl]-1,4-dioxo-2-naphthalenesulfonamide IUPAC Name: 3-(azepan-1-yl)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide Traditional Name: 3-(azepan-1-yl)-1,4-diketo-N-(2-morpholinoethyl)naphthalene-2-sulfonamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCCN4CCOCC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)NCCN4CCOCC4

InChI

InChI=1S/C22H29N3O5S/c26-20-17-7-3-4-8-18(17)21(27)22(19(20)25-10-5-1-2-6-11-25)31(28,29)23-9-12-24-13-15-30-16-14-24/h3-4,7-8,23H,1-2,5-6,9-16H2