2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[carbamimidoyl-(4-methylphenyl)sulfonyl-amino]-N-oxidanyl-pentanamide

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[carbamimidoyl-(4-methylphenyl)sulfonyl-amino]-N-oxidanyl-pentanamide Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[carbamimidoyl(p-tolylsulfonyl)amino]pentanehydroxamic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[carbamimidoyl-(4-methylphenyl)sulfonylamino]-N-hydroxypentanamide IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-5-[carbamimidoyl-(4-methylphenyl)sulfonylamino]-N-hydroxypentanamide Traditional Name: 5-[amidino(tosyl)amino]-2-[(4-but-2-ynoxyphenyl)sulfonylamino]pentanehydroxamic acid Formula: C23H29N5O7S2 MolecularWeight: 551.63566

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCN(C(=N)N)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)NC(CCCN(C(=N)N)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)NO

InChI

InChI=1S/C23H29N5O7S2/c1-3-4-16-35-18-9-13-19(14-10-18)36(31,32)27-21(22(29)26-30)6-5-15-28(23(24)25)37(33,34)20-11-7-17(2)8-12-20/h7-14,21,27,30H,5-6,15-16H2,1-2H3,(H3,24,25)(H,26,29)