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

Systemtic Name: 4-[[9,10-bis(oxidanylidene)anthracen-2-yl]sulfonyl-methyl-amino]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[(9,10-dioxo-2-anthryl)sulfonyl-methyl-amino]butanamide CAS Name: 4-[(9,10-dioxo-2-anthracenyl)sulfonyl-methylamino]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[(9,10-dioxoanthracen-2-yl)sulfonyl-methylamino]butanamide Traditional Name: N-benzyl-4-[(9,10-diketo-2-anthryl)sulfonyl-methyl-amino]butyramide Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O5S/c1-28(15-7-12-24(29)27-17-18-8-3-2-4-9-18)34(32,33)19-13-14-22-23(16-19)26(31)21-11-6-5-10-20(21)25(22)30/h2-6,8-11,13-14,16H,7,12,15,17H2,1H3,(H,27,29)