4-[[[3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl]amino]methyl]benzoic acid Openeye Name: 4-[[[3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl]amino]methyl]benzoic acid CAS Name: 4-[[[3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-1-oxobutyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanoyl]amino]methyl]benzoic acid Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(C(C)C)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H23N3O5S2/c1-12(2)19(20(25)22-11-14-4-6-15(7-5-14)21(26)27)24-31(28,29)16-8-9-17-18(10-16)30-13(3)23-17/h4-10,12,19,24H,11H2,1-3H3,(H,22,25)(H,26,27)