4-[(3-methylsulfonylphenyl)carbamoyl-spiro[5.5]undecan-9-yl-amino]benzoic acid

Systemtic Name: 4-[(3-methylsulfonylphenyl)carbamoyl-spiro[5.5]undecan-9-yl-amino]benzoic acid Openeye Name: 4-[(3-methylsulfonylphenyl)carbamoyl-spiro[5.5]undecan-9-yl-amino]benzoic acid CAS Name: 4-[[(3-methylsulfonylanilino)-oxomethyl]-(9-spiro[5.5]undecanyl)amino]benzoic acid IUPAC Name: 4-[(3-methylsulfonylphenyl)carbamoyl-spiro[5.5]undecan-9-ylamino]benzoic acid Traditional Name: 4-[(3-mesylphenyl)carbamoyl-spiro[5.5]undecan-9-yl-amino]benzoic acid Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)N(C2CCC3(CCCCC3)CC2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)N(C2CCC3(CCCCC3)CC2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H32N2O5S/c1-34(32,33)23-7-5-6-20(18-23)27-25(31)28(21-10-8-19(9-11-21)24(29)30)22-12-16-26(17-13-22)14-3-2-4-15-26/h5-11,18,22H,2-4,12-17H2,1H3,(H,27,31)(H,29,30)