2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitro-benzenesulfonamide CAS Name: 2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-5-nitrobenzenesulfonamide Traditional Name: 2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-5-nitro-benzenesulfonamide Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C19H21N5O4S2/c1-13(19-21-15-4-2-3-5-17(15)29-19)22-8-10-23(11-9-22)16-7-6-14(24(25)26)12-18(16)30(20,27)28/h2-7,12-13H,8-11H2,1H3,(H2,20,27,28)/t13-/m0/s1