4-(1,3,2-dioxaborinan-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-(1,3,2-dioxaborinan-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(1,3,2-dioxaborinan-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(1,3,2-dioxaborinan-2-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(1,3,2-dioxaborinan-2-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1,3,2-dioxaborinan-2-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C24H24BN3O7S2 MolecularWeight: 541.40426

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCCCO1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

B1(OCCCO1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24BN3O7S2/c29-24(18-7-9-19(10-8-18)25-34-14-4-15-35-25)27-37(32,33)21-11-12-22(23(17-21)28(30)31)26-13-16-36-20-5-2-1-3-6-20/h1-3,5-12,17,26H,4,13-16H2,(H,27,29)