3-(ethylsulfonylamino)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid

Systemtic Name: 3-(ethylsulfonylamino)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid Openeye Name: 3-(ethylsulfonylamino)-4-[4-[2-(1-piperidyl)ethyl]-1-piperidyl]benzoic acid CAS Name: 3-(ethylsulfonylamino)-4-[4-[2-(1-piperidinyl)ethyl]-1-piperidinyl]benzoic acid IUPAC Name: 3-(ethylsulfonylamino)-4-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]benzoic acid Traditional Name: 3-(esylamino)-4-[4-(2-piperidinoethyl)piperidino]benzoic acid Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)CCN3CCCCC3

Isomeric SMILES

CCS(=O)(=O)NC1=C(C=CC(=C1)C(=O)O)N2CCC(CC2)CCN3CCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-2-29(27,28)22-19-16-18(21(25)26)6-7-20(19)24-14-9-17(10-15-24)8-13-23-11-4-3-5-12-23/h6-7,16-17,22H,2-5,8-15H2,1H3,(H,25,26)