4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 4-[(9,10-dioxo-2-anthryl)sulfonyl-methyl-amino]-N-(3-pyridylmethyl)butanamide CAS Name: 4-[(9,10-dioxo-2-anthracenyl)sulfonyl-methylamino]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 4-[(9,10-diketo-2-anthryl)sulfonyl-methyl-amino]-N-(3-pyridylmethyl)butyramide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN(CCCC(=O)NCC1=CN=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H23N3O5S/c1-28(13-5-9-23(29)27-16-17-6-4-12-26-15-17)34(32,33)18-10-11-21-22(14-18)25(31)20-8-3-2-7-19(20)24(21)30/h2-4,6-8,10-12,14-15H,5,9,13,16H2,1H3,(H,27,29)