propyl 4-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: propyl 4-[(2-bromanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: propyl 4-[(2-bromo-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 4-[[[2-bromo-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2-bromo-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(2-bromo-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid propyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-2-13-29-21(26)15-5-7-16(8-6-15)23-20(25)18-14-17(9-10-19(18)22)30(27,28)24-11-3-4-12-24/h5-10,14H,2-4,11-13H2,1H3,(H,23,25)