methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(pent-4-enoylamino)methyl]benzoate

Systemtic Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(pent-4-enoylamino)methyl]benzoate Openeye Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(pent-4-enoylamino)methyl]benzoate CAS Name: 3-[(2-chlorophenyl)sulfonylamino]-5-[(1-oxopent-4-enylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)sulfonylamino]-5-[(pent-4-enoylamino)methyl]benzoate Traditional Name: 3-[(2-chlorophenyl)sulfonylamino]-5-[(pent-4-enoylamino)methyl]benzoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2Cl)CNC(=O)CCC=C

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2Cl)CNC(=O)CCC=C

InChI

InChI=1S/C20H21ClN2O5S/c1-3-4-9-19(24)22-13-14-10-15(20(25)28-2)12-16(11-14)23-29(26,27)18-8-6-5-7-17(18)21/h3,5-8,10-12,23H,1,4,9,13H2,2H3,(H,22,24)