2-(1,3-benzothiazol-2-ylamino)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 2-(1,3-benzothiazol-2-ylamino)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-1-(4-nosylpiperazino)propan-1-one Formula: C20H21N5O5S2 MolecularWeight: 475.54124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N5O5S2/c1-14(21-20-22-17-4-2-3-5-18(17)31-20)19(26)23-10-12-24(13-11-23)32(29,30)16-8-6-15(7-9-16)25(27)28/h2-9,14H,10-13H2,1H3,(H,21,22)