2-[[4-[[3-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[3-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[3-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[3-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[3-(2-methylpiperidino)sulfonylbenzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C21H25N3O7S2/c1-15-5-2-3-12-24(15)33(30,31)19-7-4-6-16(13-19)21(27)23-17-8-10-18(11-9-17)32(28,29)22-14-20(25)26/h4,6-11,13,15,22H,2-3,5,12,14H2,1H3,(H,23,27)(H,25,26)