5-chloranyl-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]quinolin-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]quinolin-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-6-quinolyl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[4-[(2S,5R)-2,5-dimethyl-1-piperazinyl]-6-quinolinyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]quinolin-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[4-[(2S,5R)-2,5-dimethylpiperazino]-6-quinolyl]-3-methyl-benzothiophene-2-sulfonamide Formula: C24H25ClN4O2S2 MolecularWeight: 501.0639

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C2=C3C=C(C=CC3=NC=C2)NS(=O)(=O)C4=C(C5=C(S4)C=CC(=C5)Cl)C)C

Isomeric SMILES

C[C@H]1CN[C@@H](CN1C2=C3C=C(C=CC3=NC=C2)NS(=O)(=O)C4=C(C5=C(S4)C=CC(=C5)Cl)C)C

InChI

InChI=1S/C24H25ClN4O2S2/c1-14-13-29(15(2)12-27-14)22-8-9-26-21-6-5-18(11-20(21)22)28-33(30,31)24-16(3)19-10-17(25)4-7-23(19)32-24/h4-11,14-15,27-28H,12-13H2,1-3H3/t14-,15+/m1/s1