4-[3-anthracen-9-ylpropyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-3-nitro-benzoic acid

Systemtic Name: 4-[3-anthracen-9-ylpropyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-3-nitro-benzoic acid Openeye Name: 4-[3-(9-anthryl)propyl-[3-(tert-butoxycarbonylamino)propyl]sulfamoyl]-3-nitro-benzoic acid CAS Name: 4-[3-(9-anthracenyl)propyl-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]sulfamoyl]-3-nitrobenzoic acid IUPAC Name: 4-[3-anthracen-9-ylpropyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]-3-nitrobenzoic acid Traditional Name: 4-[3-(9-anthryl)propyl-[3-(tert-butoxycarbonylamino)propyl]sulfamoyl]-3-nitro-benzoic acid Formula: C32H35N3O8S MolecularWeight: 621.7006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(CCCC1=C2C=CC=CC2=CC3=CC=CC=C31)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(CCCC1=C2C=CC=CC2=CC3=CC=CC=C31)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C32H35N3O8S/c1-32(2,3)43-31(38)33-17-9-19-34(44(41,42)29-16-15-24(30(36)37)21-28(29)35(39)40)18-8-14-27-25-12-6-4-10-22(25)20-23-11-5-7-13-26(23)27/h4-7,10-13,15-16,20-21H,8-9,14,17-19H2,1-3H3,(H,33,38)(H,36,37)