cyclohexa-2,4-dien-1-ylsulfonyl 3-(4-carbamimidoylphenyl)propanoate

Systemtic Name: cyclohexa-2,4-dien-1-ylsulfonyl 3-(4-carbamimidoylphenyl)propanoate Openeye Name: cyclohexa-2,4-dien-1-ylsulfonyl 3-(4-carbamimidoylphenyl)propanoate CAS Name: 3-(4-carbamimidoylphenyl)propanoic acid 1-cyclohexa-2,4-dienylsulfonyl ester IUPAC Name: cyclohexa-2,4-dien-1-ylsulfonyl 3-(4-carbamimidoylphenyl)propanoate Traditional Name: 3-(4-amidinophenyl)propionic acid cyclohexa-2,4-dien-1-ylsulfonyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC1S(=O)(=O)OC(=O)CCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1C=CC=CC1S(=O)(=O)OC(=O)CCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H18N2O4S/c17-16(18)13-9-6-12(7-10-13)8-11-15(19)22-23(20,21)14-4-2-1-3-5-14/h1-4,6-7,9-10,14H,5,8,11H2,(H3,17,18)