[3,6,8-tris[3-(2-methylprop-2-enoylamino)propylsulfamoyl]pyren-1-yl] ethanoate

Systemtic Name: [3,6,8-tris[3-(2-methylprop-2-enoylamino)propylsulfamoyl]pyren-1-yl] ethanoate Openeye Name: [3,6,8-tris[3-(2-methylprop-2-enoylamino)propylsulfamoyl]pyren-1-yl] acetate CAS Name: acetic acid [3,6,8-tris[3-[(2-methyl-1-oxoprop-2-enyl)amino]propylsulfamoyl]-1-pyrenyl] ester IUPAC Name: [3,6,8-tris[3-(2-methylprop-2-enoylamino)propylsulfamoyl]pyren-1-yl] acetate Traditional Name: acetic acid [3,6,8-tris(3-methacrylamidopropylsulfamoyl)pyren-1-yl] ester Formula: C39H48N6O11S3 MolecularWeight: 873.02702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCCCNS(=O)(=O)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)OC(=O)C)S(=O)(=O)NCCCNC(=O)C(=C)C)S(=O)(=O)NCCCNC(=O)C(=C)C

Isomeric SMILES

CC(=C)C(=O)NCCCNS(=O)(=O)C1=CC(=C2C=CC3=C(C=C(C4=C3C2=C1C=C4)OC(=O)C)S(=O)(=O)NCCCNC(=O)C(=C)C)S(=O)(=O)NCCCNC(=O)C(=C)C

InChI

InChI=1S/C39H48N6O11S3/c1-23(2)37(47)40-15-8-18-43-57(50,51)32-21-31(56-26(7)46)27-11-12-29-33(58(52,53)44-19-9-16-41-38(48)24(3)4)22-34(30-14-13-28(32)35(27)36(29)30)59(54,55)45-20-10-17-42-39(49)25(5)6/h11-14,21-22,43-45H,1,3,5,8-10,15-20H2,2,4,6-7H3,(H,40,47)(H,41,48)(H,42,49)