N-[2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-1-phenyl-ethyl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-1-phenyl-ethyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-4-pyridyl]amino]-1-phenyl-ethyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[2-[[(3Z)-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-4-pyridinyl]amino]-1-phenylethyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxopyridin-4-yl]amino]-1-phenylethyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-keto-4-pyridyl]amino]-1-phenyl-ethyl]-4-mesyl-benzenesulfonamide Formula: C31H29N7O5S2 MolecularWeight: 643.73586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)S(=O)(=O)C)N2)N6C=CN=C6

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NCC(C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)S(=O)(=O)C)/N2)N6C=CN=C6

InChI

InChI=1S/C31H29N7O5S2/c1-20-16-22(38-15-14-32-19-38)17-26-29(20)36-30(35-26)28-25(12-13-33-31(28)39)34-18-27(21-6-4-3-5-7-21)37-45(42,43)24-10-8-23(9-11-24)44(2,40)41/h3-17,19,27,34-37H,18H2,1-2H3/b30-28-