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

Systemtic Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-pyrimidin-2-yl-benzenesulfonamide Openeye Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-4-pyrimidin-2-yl-benzenesulfonamide CAS Name: N-[5-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-4-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-4-pyrimidin-2-ylbenzenesulfonamide Traditional Name: N-[5-[(3S,5R)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-4-(2-pyrimidyl)benzenesulfonamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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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=CC=N4

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=CC=N4

InChI

InChI=1S/C23H27N5O3S/c1-16-14-28(15-17(2)26-16)19-7-10-22(31-3)21(13-19)27-32(29,30)20-8-5-18(6-9-20)23-24-11-4-12-25-23/h4-13,16-17,26-27H,14-15H2,1-3H3/t16-,17+