2-[[4-[(1-naphthalen-1-ylcarbonylpiperidin-3-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(1-naphthalen-1-ylcarbonylpiperidin-3-yl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[1-[1-naphthalenyl(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[1-(1-naphthoyl)nipecotoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C25H25N3O6S/c29-23(30)15-26-35(33,34)20-12-10-19(11-13-20)27-24(31)18-7-4-14-28(16-18)25(32)22-9-3-6-17-5-1-2-8-21(17)22/h1-3,5-6,8-13,18,26H,4,7,14-16H2,(H,27,31)(H,29,30)