heptyl 4-[[(2R)-1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: heptyl 4-[[(2R)-1-(phenylsulfonyl)pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: heptyl 4-[[(2R)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[(2R)-1-(benzenesulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid heptyl ester IUPAC Name: heptyl 4-[[(2R)-1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2R)-1-besylprolyl]amino]benzoic acid heptyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O5S/c1-2-3-4-5-9-19-32-25(29)20-14-16-21(17-15-20)26-24(28)23-13-10-18-27(23)33(30,31)22-11-7-6-8-12-22/h6-8,11-12,14-17,23H,2-5,9-10,13,18-19H2,1H3,(H,26,28)/t23-/m1/s1