cyclohexyl (3S)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-3-phenyl-propane-1-sulfonate

Systemtic Name: cyclohexyl (3S)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-3-phenyl-propane-1-sulfonate Openeye Name: cyclohexyl (3S)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-3-phenyl-propane-1-sulfonate CAS Name: (3S)-3-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]amino]-3-phenyl-1-propanesulfonic acid IUPAC Name: cyclohexyl (3S)-3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]amino]-3-phenylpropane-1-sulfonate Traditional Name: (3S)-3-[[(2S)-2-(methoxymethyl)pyrrolidino]amino]-3-phenyl-propane-1-sulfonic acid cyclohexyl ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN1NC(CCS(=O)(=O)OC2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC[C@@H]1CCCN1N[C@@H](CCS(=O)(=O)OC2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H34N2O4S/c1-26-17-19-11-8-15-23(19)22-21(18-9-4-2-5-10-18)14-16-28(24,25)27-20-12-6-3-7-13-20/h2,4-5,9-10,19-22H,3,6-8,11-17H2,1H3/t19-,21-/m0/s1