N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylbenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-methyl-benzamide Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H23N3O3S2/c1-27(17-24-26-22-11-4-5-12-23(22)32-24)25(29)19-9-6-10-21(15-19)33(30,31)28-14-13-18-7-2-3-8-20(18)16-28/h2-12,15H,13-14,16-17H2,1H3