4-[4-[[3-(ethylcarbamoylamino)phenyl]methylamino]phenyl]sulfonyl-3-phenyl-butanoic acid

Systemtic Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methylamino]phenyl]sulfonyl-3-phenyl-butanoic acid Openeye Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methylamino]phenyl]sulfonyl-3-phenyl-butanoic acid CAS Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methylamino]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 4-[4-[[3-(ethylcarbamoylamino)phenyl]methylamino]phenyl]sulfonyl-3-phenylbutanoic acid Traditional Name: 4-[4-[[3-(ethylcarbamoylamino)benzyl]amino]phenyl]sulfonyl-3-phenyl-butyric acid Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCNC(=O)NC1=CC=CC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3O5S/c1-2-27-26(32)29-23-10-6-7-19(15-23)17-28-22-11-13-24(14-12-22)35(33,34)18-21(16-25(30)31)20-8-4-3-5-9-20/h3-15,21,28H,2,16-18H2,1H3,(H,30,31)(H2,27,29,32)