5-chloranyl-N-[4-ethoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[4-ethoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[4-ethoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[4-ethoxy-3-(4-methyl-1-piperazinyl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[4-ethoxy-3-(4-methylpiperazin-1-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[4-ethoxy-3-(4-methylpiperazino)phenyl]-3-methyl-benzothiophene-2-sulfonamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)N4CCN(CC4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C)N4CCN(CC4)C

InChI

InChI=1S/C22H26ClN3O3S2/c1-4-29-20-7-6-17(14-19(20)26-11-9-25(3)10-12-26)24-31(27,28)22-15(2)18-13-16(23)5-8-21(18)30-22/h5-8,13-14,24H,4,9-12H2,1-3H3