[(E)-1-azanylethylideneamino] 5-[[2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazine-2-carboxylate

Systemtic Name: [(E)-1-azanylethylideneamino] 5-[[2-(3-chloranyl-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazine-2-carboxylate Openeye Name: [(E)-1-aminoethylideneamino] 5-[[2-(3-chloro-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazine-2-carboxylate CAS Name: 5-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-1-oxopropyl]amino]-2-pyrazinecarboxylic acid [(E)-1-aminoethylideneamino] ester IUPAC Name: [(E)-1-aminoethylideneamino] 5-[[2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentylpropanoyl]amino]pyrazine-2-carboxylate Traditional Name: 5-[[2-(3-chloro-4-mesyl-phenyl)-3-cyclopentyl-propanoyl]amino]pyrazinic acid [(E)-1-aminoethylideneamino] ester Formula: C22H26ClN5O5S MolecularWeight: 507.99034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C1=CN=C(C=N1)NC(=O)C(CC2CCCC2)C3=CC(=C(C=C3)S(=O)(=O)C)Cl)N

Isomeric SMILES

C/C(=N\OC(=O)C1=CN=C(C=N1)NC(=O)C(CC2CCCC2)C3=CC(=C(C=C3)S(=O)(=O)C)Cl)/N

InChI

InChI=1S/C22H26ClN5O5S/c1-13(24)28-33-22(30)18-11-26-20(12-25-18)27-21(29)16(9-14-5-3-4-6-14)15-7-8-19(17(23)10-15)34(2,31)32/h7-8,10-12,14,16H,3-6,9H2,1-2H3,(H2,24,28)(H,26,27,29)