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

Systemtic Name: N,N-dibutyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dibutyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-dibutyl-4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dibutyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dibutyl-4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C26H33N5O5S2 MolecularWeight: 559.70072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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(CCCC)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/C26H33N5O5S2/c1-3-5-13-30(14-6-4-2)38(35,36)22-10-7-20(8-11-22)25(32)28-15-17-29(18-16-28)26-27-23-12-9-21(31(33)34)19-24(23)37-26/h7-12,19H,3-6,13-18H2,1-2H3