N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-methyl-1-[[1-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxobutan-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxobutan-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-2-methyl-propyl]-piperonylamide Formula: C24H28N4O8S MolecularWeight: 532.56612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N4O8S/c1-15(2)22(26-23(30)16-8-9-19-20(12-16)36-14-35-19)24(31)25-17-6-5-10-27(13-18(17)29)37(33,34)21-7-3-4-11-28(21)32/h3-4,7-9,11-12,15,17,22H,5-6,10,13-14H2,1-2H3,(H,25,31)(H,26,30)