1-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

Systemtic Name: 1-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Openeye Name: 1-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone CAS Name: 1-[6-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone IUPAC Name: 1-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Traditional Name: 1-[6-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC[C@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N3O3S2/c1-15(26)24-12-4-6-16-14-17(10-11-19(16)24)30(27,28)25-13-5-8-20(25)22-23-18-7-2-3-9-21(18)29-22/h2-3,7,9-11,14,20H,4-6,8,12-13H2,1H3/t20-/m0/s1