potassium 4-[methyl-[3-[(4-methylphenyl)carbonylamino]propyl]amino]butane-1-sulfonate

Systemtic Name: potassium 4-[methyl-[3-[(4-methylphenyl)carbonylamino]propyl]amino]butane-1-sulfonate Openeye Name: potassium 4-[methyl-[3-[(4-methylbenzoyl)amino]propyl]amino]butane-1-sulfonate CAS Name: potassium 4-[methyl-[3-[[(4-methylphenyl)-oxomethyl]amino]propyl]amino]-1-butanesulfonate IUPAC Name: potassium 4-[methyl-[3-[(4-methylbenzoyl)amino]propyl]amino]butane-1-sulfonate Traditional Name: potassium 4-[methyl-[3-(p-toluoylamino)propyl]amino]butane-1-sulfonate Formula: C16H25KN2O4S MolecularWeight: 380.544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCCCN(C)CCCCS(=O)(=O)[O-].[K+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCCCN(C)CCCCS(=O)(=O)[O-].[K+]

InChI

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