2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-5-piperidin-1-ylsulfonyl-benzoic acid

Systemtic Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]-5-piperidin-1-ylsulfonyl-benzoic acid Openeye Name: 2-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-1-yl]-5-(1-piperidylsulfonyl)benzoic acid CAS Name: 2-[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazinyl]-5-(1-piperidinylsulfonyl)benzoic acid IUPAC Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-5-piperidin-1-ylsulfonylbenzoic acid Traditional Name: 2-[4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazino]-5-piperidinosulfonyl-benzoic acid Formula: C22H29N5O6S MolecularWeight: 491.56056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=O)O

InChI

InChI=1S/C22H29N5O6S/c1-16-13-20(24-33-16)23-21(28)15-25-9-11-26(12-10-25)19-6-5-17(14-18(19)22(29)30)34(31,32)27-7-3-2-4-8-27/h5-6,13-14H,2-4,7-12,15H2,1H3,(H,29,30)(H,23,24,28)