N-[2-methoxy-5-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidate

Systemtic Name: N-[2-methoxy-5-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidate Openeye Name: N-[2-methoxy-5-[2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidate CAS Name: N-[2-methoxy-5-[2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl]phenyl]sulfonyl-N'-methylcarbamimidate IUPAC Name: N-[2-methoxy-5-[2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl]phenyl]sulfonyl-N'-methylcarbamimidate Traditional Name: N-[2-methoxy-5-[2-[[(E)-3-(2-thienyl)acryloyl]amino]ethyl]phenyl]sulfonyl-N'-methyl-carbamimidate Formula: C18H20N3O5S2- MolecularWeight: 422.4985

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)C=CC2=CC=CS2)OC)[O-]

Isomeric SMILES

CN=C(NS(=O)(=O)C1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC=CS2)OC)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-19-18(23)21-28(24,25)16-12-13(5-7-15(16)26-2)9-10-20-17(22)8-6-14-4-3-11-27-14/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H2,19,21,23)/p-1/b8-6+