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

Systemtic Name: N,N-bis(2-methylpropyl)-4-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diisobutyl-4-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-bis(2-methylpropyl)-4-[[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-bis(2-methylpropyl)-4-[4-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diisobutyl-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:

CC(C)CN(CC(C)C)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

CC(C)CN(CC(C)C)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/c1-19(2)17-31(18-20(3)4)39(35,36)22-8-6-21(7-9-22)26(32)29-12-14-30(15-13-29)27-28-24-11-10-23(38(5,33)34)16-25(24)37-27/h6-11,16,19-20H,12-15,17-18H2,1-5H3