2-ethylsulfonyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 2-ethylsulfonyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Openeye Name: 2-ethylsulfonyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide CAS Name: 2-ethylsulfonyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]ethyl]benzamide IUPAC Name: 2-ethylsulfonyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]benzamide Traditional Name: 2-esyl-N-[2-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]ethyl]benzamide Formula: C22H25N5O5S2 MolecularWeight: 503.5944

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)NCCN2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S2/c1-2-34(31,32)20-6-4-3-5-17(20)21(28)23-9-10-25-11-13-26(14-12-25)22-24-18-8-7-16(27(29)30)15-19(18)33-22/h3-8,15H,2,9-14H2,1H3,(H,23,28)