N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-methyl-4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-benzyl-N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C26H25N5O5S2 MolecularWeight: 551.6372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O5S2/c1-28(18-19-5-3-2-4-6-19)38(35,36)22-10-7-20(8-11-22)25(32)29-13-15-30(16-14-29)26-27-23-12-9-21(31(33)34)17-24(23)37-26/h2-12,17H,13-16,18H2,1H3