4-(2-azanylethyl)-3-ethyl-5-(3-phenethyloxypropylsulfonyl)-1,3-benzothiazol-2-one

Systemtic Name: 4-(2-azanylethyl)-3-ethyl-5-(3-phenethyloxypropylsulfonyl)-1,3-benzothiazol-2-one Openeye Name: 4-(2-aminoethyl)-3-ethyl-5-(3-phenethyloxypropylsulfonyl)-1,3-benzothiazol-2-one CAS Name: 4-(2-aminoethyl)-3-ethyl-5-(3-phenethyloxypropylsulfonyl)-1,3-benzothiazol-2-one IUPAC Name: 4-(2-aminoethyl)-3-ethyl-5-(3-phenethyloxypropylsulfonyl)-1,3-benzothiazol-2-one Traditional Name: 4-(2-aminoethyl)-3-ethyl-5-(3-phenethyloxypropylsulfonyl)-1,3-benzothiazol-2-one Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2CCN)S(=O)(=O)CCCOCCC3=CC=CC=C3)SC1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2CCN)S(=O)(=O)CCCOCCC3=CC=CC=C3)SC1=O

InChI

InChI=1S/C22H28N2O4S2/c1-2-24-21-18(11-13-23)20(10-9-19(21)29-22(24)25)30(26,27)16-6-14-28-15-12-17-7-4-3-5-8-17/h3-5,7-10H,2,6,11-16,23H2,1H3