methyl 2-[[3-(3-azanylpropylsulfanylmethyl)phenyl]sulfonylamino]butanoate

Systemtic Name: methyl 2-[[3-(3-azanylpropylsulfanylmethyl)phenyl]sulfonylamino]butanoate Openeye Name: methyl 2-[[3-(3-aminopropylsulfanylmethyl)phenyl]sulfonylamino]butanoate CAS Name: 2-[[3-[(3-aminopropylthio)methyl]phenyl]sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(3-aminopropylsulfanylmethyl)phenyl]sulfonylamino]butanoate Traditional Name: 2-[[3-[(3-aminopropylthio)methyl]phenyl]sulfonylamino]butyric acid methyl ester Formula: C15H24N2O4S2 MolecularWeight: 360.49206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)CSCCCN

Isomeric SMILES

CCC(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)CSCCCN

InChI

InChI=1S/C15H24N2O4S2/c1-3-14(15(18)21-2)17-23(19,20)13-7-4-6-12(10-13)11-22-9-5-8-16/h4,6-7,10,14,17H,3,5,8-9,11,16H2,1-2H3