sodium 3-[(2-oxidanylideneazepan-3-yl)amino]propane-1-sulfonate

Systemtic Name: sodium 3-[(2-oxidanylideneazepan-3-yl)amino]propane-1-sulfonate Openeye Name: sodium 3-[(2-oxoazepan-3-yl)amino]propane-1-sulfonate CAS Name: sodium 3-[(2-oxo-3-azepanyl)amino]-1-propanesulfonate IUPAC Name: sodium 3-[(2-oxoazepan-3-yl)amino]propane-1-sulfonate Traditional Name: sodium 3-[(2-ketoazepan-3-yl)amino]propane-1-sulfonate Formula: C9H17N2NaO4S MolecularWeight: 272.29705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18N2O4S.Na/c12-9-8(4-1-2-5-11-9)10-6-3-7-16(13,14)15;/h8,10H,1-7H2,(H,11,12)(H,13,14,15);/q;+1/p-1