propan-2-yl 4-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid isopropyl ester Formula: C17H19ClN2O5S2 MolecularWeight: 430.92616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN(C)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H19ClN2O5S2/c1-11(2)25-17(22)12-4-6-13(7-5-12)19-15(21)10-20(3)27(23,24)16-9-8-14(18)26-16/h4-9,11H,10H2,1-3H3,(H,19,21)