2-[2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]ethanoylamino]-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-2-[[2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzamide CAS Name: 2-[[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-1-oxoethyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[[2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)acetyl]amino]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-2-[[2-(3-nitro-N-tosyl-anilino)acetyl]amino]benzamide Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)NC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)NC(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O6S/c1-17(2)26-25(31)22-9-4-5-10-23(22)27-24(30)16-28(19-7-6-8-20(15-19)29(32)33)36(34,35)21-13-11-18(3)12-14-21/h4-15,17H,16H2,1-3H3,(H,26,31)(H,27,30)