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

Systemtic Name: 2-methoxyethyl 4-[4-[[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylcarbamoyl]phenyl]piperazine-1-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C29H33N5O8S2 MolecularWeight: 643.73102

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=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

COCCOC(=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/C29H33N5O8S2/c1-41-18-19-42-29(36)33-16-14-32(15-17-33)23-9-7-22(8-10-23)28(35)31-44(39,40)25-11-12-26(27(21-25)34(37)38)30-13-20-43-24-5-3-2-4-6-24/h2-12,21,30H,13-20H2,1H3,(H,31,35)