propan-2-yl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate

Systemtic Name: propan-2-yl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: isopropyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylamino]-oxomethyl]phenyl]-1-piperazinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylic acid isopropyl ester Formula: C29H33N5O7S2 MolecularWeight: 627.73162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)N1CCN(CC1)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/C29H33N5O7S2/c1-21(2)41-29(36)33-17-15-32(16-18-33)23-10-8-22(9-11-23)28(35)31-43(39,40)25-12-13-26(27(20-25)34(37)38)30-14-19-42-24-6-4-3-5-7-24/h3-13,20-21,30H,14-19H2,1-2H3,(H,31,35)