phenyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanesulfonate CAS Name: 2-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanesulfonate Traditional Name: 2-[4-(3-nitrophenyl)sulfonylpiperazino]ethanesulfonic acid phenyl ester Formula: C18H21N3O7S2 MolecularWeight: 455.50524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O7S2/c22-21(23)16-5-4-8-18(15-16)30(26,27)20-11-9-19(10-12-20)13-14-29(24,25)28-17-6-2-1-3-7-17/h1-8,15H,9-14H2