2-[[4-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]sulfonylamino]acetic acid Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C21H25N3O7S2/c25-20(26)15-22-32(28,29)18-11-7-17(8-12-18)23-21(27)16-5-9-19(10-6-16)33(30,31)24-13-3-1-2-4-14-24/h5-12,22H,1-4,13-15H2,(H,23,27)(H,25,26)