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methyl 3-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenyl]butanoate

methyl 3-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenyl]butanoate

Systemtic Name:methyl 3-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenyl]butanoate
Openeye Name:methyl 3-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenyl]butanoate
CAS Name:3-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenyl]butanoic acid methyl ester
IUPAC Name:methyl 3-[4-[2-[(4-carbamimidoylphenyl)sulfonylamino]ethyl]phenyl]butanoate
Traditional Name:3-[4-[2-[(4-amidinophenyl)sulfonylamino]ethyl]phenyl]butyric acid methyl ester
Formula: C20H25N3O4S
MolecularWeight: 403.4952
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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N


Isomeric SMILES

CC(CC(=O)OC)C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC=C(C=C2)C(=N)N


InChI

InChI=1S/C20H25N3O4S/c1-14(13-19(24)27-2)16-5-3-15(4-6-16)11-12-23-28(25,26)18-9-7-17(8-10-18)20(21)22/h3-10,14,23H,11-13H2,1-2H3,(H3,21,22)


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