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

Systemtic Name: N,N-dibutyl-4-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dibutyl-4-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-dibutyl-4-[[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-dibutyl-4-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-dibutyl-4-[4-(6-mesyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Formula: C27H36N4O5S3 MolecularWeight: 592.79354

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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)S(=O)(=O)C

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H36N4O5S3/c1-4-6-14-31(15-7-5-2)39(35,36)22-10-8-21(9-11-22)26(32)29-16-18-30(19-17-29)27-28-24-13-12-23(38(3,33)34)20-25(24)37-27/h8-13,20H,4-7,14-19H2,1-3H3