N-[3-methyl-1-[[1-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1-benzothiophene-2-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-benzothiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[[1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]propyl]benzothiophene-2-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-benzothiophene-2-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-benzothiophene-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(1-oxidopyridin-1-ium-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-2-methyl-propyl]benzothiophene-2-carboxamide Formula: C25H28N4O6S2 MolecularWeight: 544.64302

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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=CC=CC=C4S3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=[N+]2[O-])NC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N4O6S2/c1-16(2)23(27-24(31)21-14-17-8-3-4-10-20(17)36-21)25(32)26-18-9-7-12-28(15-19(18)30)37(34,35)22-11-5-6-13-29(22)33/h3-6,8,10-11,13-14,16,18,23H,7,9,12,15H2,1-2H3,(H,26,32)(H,27,31)