5-chloranyl-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

Systemtic Name: 5-chloranyl-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-3-methyl-benzothiophene-2-sulfonamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C

InChI

InChI=1S/C22H26ClN3O3S2/c1-13-11-26(12-14(2)24-13)17-6-7-20(29-4)19(10-17)25-31(27,28)22-15(3)18-9-16(23)5-8-21(18)30-22/h5-10,13-14,24-25H,11-12H2,1-4H3/t13-,14+