4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-ethyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-ethyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-benzyl-N-ethyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]-N-ethyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-benzyl-N-ethylbenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N-benzyl-N-ethyl-benzenesulfonamide Formula: C27H28N4O3S2 MolecularWeight: 520.66622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3S2/c1-2-31(20-21-8-4-3-5-9-21)36(33,34)23-14-12-22(13-15-23)26(32)29-16-18-30(19-17-29)27-28-24-10-6-7-11-25(24)35-27/h3-15H,2,16-20H2,1H3