3-[3-(dimethylamino)propyl-(4-methylphenyl)carbonyl-amino]propane-1-sulfonic acid

Systemtic Name: 3-[3-(dimethylamino)propyl-(4-methylphenyl)carbonyl-amino]propane-1-sulfonic acid Openeye Name: 3-[3-(dimethylamino)propyl-(4-methylbenzoyl)amino]propane-1-sulfonic acid CAS Name: 3-[3-(dimethylamino)propyl-[(4-methylphenyl)-oxomethyl]amino]-1-propanesulfonic acid IUPAC Name: 3-[3-(dimethylamino)propyl-(4-methylbenzoyl)amino]propane-1-sulfonic acid Traditional Name: 3-[3-(dimethylamino)propyl-p-toluoyl-amino]propane-1-sulfonic acid Formula: C16H26N2O4S MolecularWeight: 342.45364

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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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN(C)C)CCCS(=O)(=O)O

InChI

InChI=1S/C16H26N2O4S/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)