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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-ethyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-benzyl-N-ethyl-benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-N-ethyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-benzyl-N-ethylbenzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-benzyl-N-ethyl-benzenesulfonamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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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)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H29N3O3S2/c1-2-31(20-21-8-4-3-5-9-21)36(33,34)24-14-12-23(13-15-24)28(32)30-18-16-22(17-19-30)27-29-25-10-6-7-11-26(25)35-27/h3-15,22H,2,16-20H2,1H3