N-(6-methyl-1,3-benzothiazol-2-yl)-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-quinolin-8-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(8-quinolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(8-quinolylsulfonyl)isonipecotamide Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C23H22N4O3S2/c1-15-7-8-18-19(14-15)31-23(25-18)26-22(28)17-9-12-27(13-10-17)32(29,30)20-6-2-4-16-5-3-11-24-21(16)20/h2-8,11,14,17H,9-10,12-13H2,1H3,(H,25,26,28)