[4-(2-dimethylaminoethyloxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoate

Systemtic Name: [4-(2-dimethylaminoethyloxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoate Openeye Name: [4-(2-dimethylaminoethyloxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propanoic acid [4-(2-dimethylaminoethyloxy)phenyl] ester IUPAC Name: [4-(2-dimethylaminoethyloxy)phenyl] 2-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]propanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]propionic acid [4-(2-dimethylaminoethyloxy)phenyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O6S/c1-6-7-17-30-21-12-14-23(15-13-21)33(28,29)26(5)19(2)24(27)32-22-10-8-20(9-11-22)31-18-16-25(3)4/h8-15,19H,16-18H2,1-5H3