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

Systemtic Name: prop-2-enyl 4-(3-carbamimidoylphenoxy)-1-(phenylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: allyl 1-(benzenesulfonyl)-4-(3-carbamimidoylphenoxy)pyrrolidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-4-(3-carbamimidoylphenoxy)-2-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 1-(benzenesulfonyl)-4-(3-carbamimidoylphenoxy)pyrrolidine-2-carboxylate Traditional Name: 4-(3-amidinophenoxy)-1-besyl-pyrrolidine-2-carboxylic acid allyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C=CCOC(=O)C1CC(CN1S(=O)(=O)C2=CC=CC=C2)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C21H23N3O5S/c1-2-11-28-21(25)19-13-17(29-16-8-6-7-15(12-16)20(22)23)14-24(19)30(26,27)18-9-4-3-5-10-18/h2-10,12,17,19H,1,11,13-14H2,(H3,22,23)