5-chloranyl-3-methyl-N-[4-[(3R)-3-propan-2-ylpiperazin-1-yl]quinolin-6-yl]-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-3-methyl-N-[4-[(3R)-3-propan-2-ylpiperazin-1-yl]quinolin-6-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[4-[(3R)-3-isopropylpiperazin-1-yl]-6-quinolyl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-3-methyl-N-[4-[(3R)-3-propan-2-yl-1-piperazinyl]-6-quinolinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-3-methyl-N-[4-[(3R)-3-propan-2-ylpiperazin-1-yl]quinolin-6-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[4-[(3R)-3-isopropylpiperazino]-6-quinolyl]-3-methyl-benzothiophene-2-sulfonamide Formula: C25H27ClN4O2S2 MolecularWeight: 515.09048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCNC(C5)C(C)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC4=C(C=CN=C4C=C3)N5CCN[C@@H](C5)C(C)C

InChI

InChI=1S/C25H27ClN4O2S2/c1-15(2)22-14-30(11-10-28-22)23-8-9-27-21-6-5-18(13-20(21)23)29-34(31,32)25-16(3)19-12-17(26)4-7-24(19)33-25/h4-9,12-13,15,22,28-29H,10-11,14H2,1-3H3/t22-/m0/s1