methyl 4-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[(2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]ethyl]benzoate CAS Name: 4-[2-[[[2-chloro-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]ethyl]benzoate Traditional Name: 4-[2-[(2-chloro-5-pyrrolidinosulfonyl-benzoyl)amino]ethyl]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)16-6-4-15(5-7-16)10-11-23-20(25)18-14-17(8-9-19(18)22)30(27,28)24-12-2-3-13-24/h4-9,14H,2-3,10-13H2,1H3,(H,23,25)