1,3-benzothiazol-2-ylmethyl-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]ammonium Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)[NH2+]CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)[NH2+]CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H25N3O2S2/c1-4-23(5-2)27(24,25)17-12-10-16(11-13-17)15(3)21-14-20-22-18-8-6-7-9-19(18)26-20/h6-13,15,21H,4-5,14H2,1-3H3/p+1/t15-/m0/s1