methyl 4-[[[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[[5-(acetamidomethyl)-2-thienyl]sulfonyl-methyl-amino]methyl]benzoate CAS Name: 4-[[[5-(acetamidomethyl)-2-thiophenyl]sulfonyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[5-(acetamidomethyl)thiophen-2-yl]sulfonyl-methylamino]methyl]benzoate Traditional Name: 4-[[[5-(acetamidomethyl)-2-thienyl]sulfonyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H20N2O5S2/c1-12(20)18-10-15-8-9-16(25-15)26(22,23)19(2)11-13-4-6-14(7-5-13)17(21)24-3/h4-9H,10-11H2,1-3H3,(H,18,20)