[4-(3-azanylpropoxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]ethanoate

Systemtic Name: [4-(3-azanylpropoxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]ethanoate Openeye Name: [4-(3-aminopropoxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]acetate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]acetic acid [4-(3-aminopropoxy)phenyl] ester IUPAC Name: [4-(3-aminopropoxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]acetate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonylmethylamino]acetic acid [4-(3-aminopropoxy)phenyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNCC(=O)OC2=CC=C(C=C2)OCCCN

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)CNCC(=O)OC2=CC=C(C=C2)OCCCN

InChI

InChI=1S/C22H26N2O6S/c1-2-3-14-28-19-9-11-21(12-10-19)31(26,27)17-24-16-22(25)30-20-7-5-18(6-8-20)29-15-4-13-23/h5-12,24H,4,13-17,23H2,1H3