2-(furan-2-ylamino)-3-methyl-N-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]butanamide

Systemtic Name: 2-(furan-2-ylamino)-3-methyl-N-[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]butanamide Openeye Name: 2-(2-furylamino)-3-methyl-N-[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]butanamide CAS Name: 2-(2-furanylamino)-3-methyl-N-[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]butanamide IUPAC Name: 2-(furan-2-ylamino)-3-methyl-N-[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]butanamide Traditional Name: 2-(2-furylamino)-N-[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]-3-methyl-butyramide Formula: C20H26N4O6S MolecularWeight: 450.50864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC3=CC=CO3

InChI

InChI=1S/C20H26N4O6S/c1-14(2)19(22-17-8-6-12-30-17)20(26)21-15-7-5-10-23(13-16(15)25)31(28,29)18-9-3-4-11-24(18)27/h3-4,6,8-9,11-12,14-15,19,22H,5,7,10,13H2,1-2H3,(H,21,26)