[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [4-[3-(tert-butoxycarbonylamino)propoxy]phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]acetic acid [4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propoxy]phenyl] ester IUPAC Name: [4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]acetic acid [4-[3-(tert-butoxycarbonylamino)propoxy]phenyl] ester Formula: C27H34N2O8S MolecularWeight: 546.63246

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC2=CC=C(C=C2)OCCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC2=CC=C(C=C2)OCCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N2O8S/c1-6-7-18-34-22-13-15-24(16-14-22)38(32,33)29(5)20-25(30)36-23-11-9-21(10-12-23)35-19-8-17-28-26(31)37-27(2,3)4/h9-16H,8,17-20H2,1-5H3,(H,28,31)