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

Systemtic Name: (E)-N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-2-phenyl-ethenesulfonamide Openeye Name: (E)-N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-2-phenyl-ethenesulfonamide CAS Name: (E)-N-[3-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-4-methoxyphenyl]-2-phenylethenesulfonamide IUPAC Name: (E)-N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-2-phenylethenesulfonamide Traditional Name: (E)-N-[3-[(3S,5R)-3,5-dimethylpiperazino]-4-methoxy-phenyl]-2-phenyl-ethenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=C(C=CC(=C2)NS(=O)(=O)C=CC3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16-14-24(15-17(2)22-16)20-13-19(9-10-21(20)27-3)23-28(25,26)12-11-18-7-5-4-6-8-18/h4-13,16-17,22-23H,14-15H2,1-3H3/b12-11+/t16-,17+