4-[1-cyclopropyl-7-[cyclopropylmethyl(propyl)amino]heptan-2-yl]oxypiperidine-1-sulfonic acid

Systemtic Name: 4-[1-cyclopropyl-7-[cyclopropylmethyl(propyl)amino]heptan-2-yl]oxypiperidine-1-sulfonic acid Openeye Name: 4-[1-(cyclopropylmethyl)-6-[cyclopropylmethyl(propyl)amino]hexoxy]piperidine-1-sulfonic acid CAS Name: 4-[1-cyclopropyl-7-[cyclopropylmethyl(propyl)amino]heptan-2-yl]oxy-1-piperidinesulfonic acid IUPAC Name: 4-[1-cyclopropyl-7-[cyclopropylmethyl(propyl)amino]heptan-2-yl]oxypiperidine-1-sulfonic acid Traditional Name: 4-[1-(cyclopropylmethyl)-6-[cyclopropylmethyl(propyl)amino]hexoxy]piperidine-1-sulfonic acid Formula: C22H42N2O4S MolecularWeight: 430.64488

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCCC(CC1CC1)OC2CCN(CC2)S(=O)(=O)O)CC3CC3

Isomeric SMILES

CCCN(CCCCCC(CC1CC1)OC2CCN(CC2)S(=O)(=O)O)CC3CC3

InChI

InChI=1S/C22H42N2O4S/c1-2-13-23(18-20-9-10-20)14-5-3-4-6-22(17-19-7-8-19)28-21-11-15-24(16-12-21)29(25,26)27/h19-22H,2-18H2,1H3,(H,25,26,27)