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

Systemtic Name: 4-tert-butyl-N-[3-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]phenyl]benzamide Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C27H30N4O6S/c1-18-9-14-23(31(34)35)16-24(18)30(38(5,36)37)17-25(32)28-21-7-6-8-22(15-21)29-26(33)19-10-12-20(13-11-19)27(2,3)4/h6-16H,17H2,1-5H3,(H,28,32)(H,29,33)