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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S2/c1-15-4-2-3-13-24(15)33(30,31)19-9-5-16(6-10-19)21(27)23-17-7-11-18(12-8-17)32(28,29)22-14-20(25)26/h5-12,15,22H,2-4,13-14H2,1H3,(H,23,27)(H,25,26)