sodium 11-oxidanylidene-11-[[(3S)-2-oxidanylideneazepan-3-yl]amino]undecane-1-sulfonate

Systemtic Name: sodium 11-oxidanylidene-11-[[(3S)-2-oxidanylideneazepan-3-yl]amino]undecane-1-sulfonate Openeye Name: sodium 11-oxo-11-[[(3S)-2-oxoazepan-3-yl]amino]undecane-1-sulfonate CAS Name: sodium 11-oxo-11-[[(3S)-2-oxo-3-azepanyl]amino]-1-undecanesulfonate IUPAC Name: sodium 11-oxo-11-[[(3S)-2-oxoazepan-3-yl]amino]undecane-1-sulfonate Traditional Name: sodium 11-keto-11-[[(3S)-2-ketoazepan-3-yl]amino]undecane-1-sulfonate Formula: C17H31N2NaO5S MolecularWeight: 398.49321

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CCCCCCCCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)CCCCCCCCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H32N2O5S.Na/c20-16(19-15-11-8-9-13-18-17(15)21)12-7-5-3-1-2-4-6-10-14-25(22,23)24;/h15H,1-14H2,(H,18,21)(H,19,20)(H,22,23,24);/q;+1/p-1/t15-;/m0./s1