tert-butyl 2-[[4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl 2-[[4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: tert-butyl 2-[[4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-(3-nitro-5-sulfamoyl-2-thiophenyl)-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(3-nitro-5-sulfamoylthiophen-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carbonyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C22H29N5O7S2 MolecularWeight: 539.62496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C3=C(C=C(S3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O7S2/c1-22(2,3)34-20(28)16(13-15-7-5-4-6-8-15)24-21(29)26-11-9-25(10-12-26)19-17(27(30)31)14-18(35-19)36(23,32)33/h4-8,14,16H,9-13H2,1-3H3,(H,24,29)(H2,23,32,33)