2-azanyl-2-[2-[(4-bromophenyl)carbonylamino]phenyl]sulfonyl-6-morpholin-4-yl-hex-4-ynoic acid

Systemtic Name: 2-azanyl-2-[2-[(4-bromophenyl)carbonylamino]phenyl]sulfonyl-6-morpholin-4-yl-hex-4-ynoic acid Openeye Name: 2-amino-2-[2-[(4-bromobenzoyl)amino]phenyl]sulfonyl-6-morpholino-hex-4-ynoic acid CAS Name: 2-amino-2-[2-[[(4-bromophenyl)-oxomethyl]amino]phenyl]sulfonyl-6-(4-morpholinyl)-4-hexynoic acid IUPAC Name: 2-amino-2-[2-[(4-bromobenzoyl)amino]phenyl]sulfonyl-6-morpholin-4-ylhex-4-ynoic acid Traditional Name: 2-amino-2-[2-[(4-bromobenzoyl)amino]phenyl]sulfonyl-6-morpholino-hex-4-ynoic acid Formula: C23H24BrN3O6S MolecularWeight: 550.42216

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CCC(C(=O)O)(N)S(=O)(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COCCN1CC#CCC(C(=O)O)(N)S(=O)(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H24BrN3O6S/c24-18-9-7-17(8-10-18)21(28)26-19-5-1-2-6-20(19)34(31,32)23(25,22(29)30)11-3-4-12-27-13-15-33-16-14-27/h1-2,5-10H,11-16,25H2,(H,26,28)(H,29,30)