4-[(1S)-1-(1,3-benzothiazol-2-ylmethylamino)ethyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[(1S)-1-(1,3-benzothiazol-2-ylmethylamino)ethyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[(1S)-1-(1,3-benzothiazol-2-ylmethylamino)ethyl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[(1S)-1-(1,3-benzothiazol-2-ylmethylamino)ethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[(1S)-1-(1,3-benzothiazol-2-ylmethylamino)ethyl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[(1S)-1-(1,3-benzothiazol-2-ylmethylamino)ethyl]-N,N-diethyl-benzenesulfonamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(C)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)[C@H](C)NCC2=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/t15-/m0/s1