3-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(2-methyl-5-pyrrolidinosulfonyl-benzoyl)amino]phenyl]sulfonylamino]propionic acid Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

InChI

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