ethyl 4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[1-(3-nitrophenyl)ethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-(3-nitrophenyl)ethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[1-(3-nitrophenyl)ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6S/c1-3-30-21(25)17-7-9-20(10-8-17)31(28,29)23-13-11-22(12-14-23)16(2)18-5-4-6-19(15-18)24(26)27/h4-10,15-16H,3,11-14H2,1-2H3