2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3-nitrobenzoate

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3-nitrobenzoate Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-(4-tosylpiperazino)ethyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-16-5-7-19(8-6-16)30(27,28)22-11-9-21(10-12-22)13-14-29-20(24)17-3-2-4-18(15-17)23(25)26/h2-8,15H,9-14H2,1H3