4-tert-butyl-N-[3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]amino]phenyl]benzamide Formula: C27H30N4O7S MolecularWeight: 554.6147

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])OC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)CN(C3=C(C=CC(=C3)[N+](=O)[O-])OC)S(=O)(=O)C

InChI

InChI=1S/C27H30N4O7S/c1-27(2,3)19-11-9-18(10-12-19)26(33)29-21-8-6-7-20(15-21)28-25(32)17-30(39(5,36)37)23-16-22(31(34)35)13-14-24(23)38-4/h6-16H,17H2,1-5H3,(H,28,32)(H,29,33)