N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-4-methyl-benzenesulfonamide Formula: C25H24N4O3S2 MolecularWeight: 492.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H24N4O3S2/c1-18-6-12-21(13-7-18)34(31,32)27-20-10-8-19(9-11-20)24(30)28-14-16-29(17-15-28)25-26-22-4-2-3-5-23(22)33-25/h2-13,27H,14-17H2,1H3