N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-(1,3-thiazol-2-yl)benzenesulfonamide

Systemtic Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-(1,3-thiazol-2-yl)benzenesulfonamide Openeye Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-thiazol-2-yl-benzenesulfonamide CAS Name: N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-4-(2-thiazolyl)benzenesulfonamide IUPAC Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-(1,3-thiazol-2-yl)benzenesulfonamide Traditional Name: N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-4-thiazol-2-yl-benzenesulfonamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)C4=NC=CS4

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)C4=NC=CS4

InChI

InChI=1S/C22H26N4O3S2/c1-15-13-26(14-16(2)24-15)18-6-9-21(29-3)20(12-18)25-31(27,28)19-7-4-17(5-8-19)22-23-10-11-30-22/h4-12,15-16,24-25H,13-14H2,1-3H3/t15-,16+