2-diethylaminoethyl 4-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]ethanoylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]ethanoylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-1-oxoethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[methyl(2-thienylsulfonyl)amino]phenoxy]acetyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C26H31N3O6S2 MolecularWeight: 545.67084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(C)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C26H31N3O6S2/c1-4-29(5-2)16-17-34-26(31)20-8-10-21(11-9-20)27-24(30)19-35-23-14-12-22(13-15-23)28(3)37(32,33)25-7-6-18-36-25/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,27,30)