N-[1-[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-6-oxidanylidene-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide

Systemtic Name: N-[1-[4-(1-oxidanidylpyridin-1-ium-2-yl)sulfonyl-6-oxidanylidene-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide Openeye Name: N-[1-[4-(1-oxidopyridin-1-ium-2-yl)sulfonyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]butyl]-4-(2-thienyl)benzamide CAS Name: N-[1-[4-[(1-oxido-2-pyridin-1-iumyl)sulfonyl]-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]-4-thiophen-2-ylbenzamide IUPAC Name: N-[1-[4-(1-oxidopyridin-1-ium-2-yl)sulfonyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]-4-thiophen-2-ylbenzamide Traditional Name: N-[1-[6-keto-4-(1-oxidopyridin-1-ium-2-yl)sulfonyl-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrole-1-carbonyl]butyl]-4-(2-thienyl)benzamide Formula: C27H28N4O6S2 MolecularWeight: 568.66442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C3=CC=CC=[N+]3[O-])NC(=O)C4=CC=C(C=C4)C5=CC=CS5

Isomeric SMILES

CCCC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C3=CC=CC=[N+]3[O-])NC(=O)C4=CC=C(C=C4)C5=CC=CS5

InChI

InChI=1S/C27H28N4O6S2/c1-2-6-20(28-26(33)19-11-9-18(10-12-19)23-7-5-16-38-23)27(34)29-15-13-21-25(29)22(32)17-31(21)39(36,37)24-8-3-4-14-30(24)35/h3-5,7-12,14,16,20-21,25H,2,6,13,15,17H2,1H3,(H,28,33)