prop-2-enyl 4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: prop-2-enyl 4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-pyrrolidine-2-carboxylate Openeye Name: allyl 4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-pyrrolidine-2-carboxylate CAS Name: 4-(3-carbamimidoylphenoxy)-1-methylsulfonyl-2-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(3-carbamimidoylphenoxy)-1-methylsulfonylpyrrolidine-2-carboxylate Traditional Name: 4-(3-amidinophenoxy)-1-mesyl-pyrrolidine-2-carboxylic acid allyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(CC1C(=O)OCC=C)OC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CS(=O)(=O)N1CC(CC1C(=O)OCC=C)OC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C16H21N3O5S/c1-3-7-23-16(20)14-9-13(10-19(14)25(2,21)22)24-12-6-4-5-11(8-12)15(17)18/h3-6,8,13-14H,1,7,9-10H2,2H3,(H3,17,18)