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

Systemtic Name: N-butyl-N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-butyl-N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-butyl-N-methyl-4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-butyl-N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-butyl-N-methyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C23H27N5O5S2 MolecularWeight: 517.62098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O5S2/c1-3-4-11-25(2)35(32,33)19-8-5-17(6-9-19)22(29)26-12-14-27(15-13-26)23-24-20-10-7-18(28(30)31)16-21(20)34-23/h5-10,16H,3-4,11-15H2,1-2H3