sodium 3-[3-(dimethylamino)propyl-(4-methylphenyl)carbonyl-amino]propane-1-sulfonate

Systemtic Name: sodium 3-[3-(dimethylamino)propyl-(4-methylphenyl)carbonyl-amino]propane-1-sulfonate Openeye Name: sodium 3-[3-(dimethylamino)propyl-(4-methylbenzoyl)amino]propane-1-sulfonate CAS Name: sodium 3-[3-(dimethylamino)propyl-[(4-methylphenyl)-oxomethyl]amino]-1-propanesulfonate IUPAC Name: sodium 3-[3-(dimethylamino)propyl-(4-methylbenzoyl)amino]propane-1-sulfonate Traditional Name: sodium 3-[3-(dimethylamino)propyl-p-toluoyl-amino]propane-1-sulfonate Formula: C16H25N2NaO4S MolecularWeight: 364.43547

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN(C)C)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN(C)C)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H26N2O4S.Na/c1-14-6-8-15(9-7-14)16(19)18(11-4-10-17(2)3)12-5-13-23(20,21)22;/h6-9H,4-5,10-13H2,1-3H3,(H,20,21,22);/q;+1/p-1