propan-2-yl 2-[(3-chlorophenyl)-[3-(4-phenylbutanoylamino)phenyl]sulfonyl-amino]ethanoate

Systemtic Name: propan-2-yl 2-[(3-chlorophenyl)-[3-(4-phenylbutanoylamino)phenyl]sulfonyl-amino]ethanoate Openeye Name: isopropyl 2-(3-chloro-N-[3-(4-phenylbutanoylamino)phenyl]sulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-[3-[(1-oxo-4-phenylbutyl)amino]phenyl]sulfonylanilino)acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(3-chloro-N-[3-(4-phenylbutanoylamino)phenyl]sulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-[3-(4-phenylbutanoylamino)phenyl]sulfonyl-anilino)acetic acid isopropyl ester Formula: C27H29ClN2O5S MolecularWeight: 529.04756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H29ClN2O5S/c1-20(2)35-27(32)19-30(24-14-7-12-22(28)17-24)36(33,34)25-15-8-13-23(18-25)29-26(31)16-6-11-21-9-4-3-5-10-21/h3-5,7-10,12-15,17-18,20H,6,11,16,19H2,1-2H3,(H,29,31)