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

Systemtic Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-4-thiophen-3-yl-benzenesulfonamide Openeye Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-4-(3-thienyl)benzenesulfonamide CAS Name: N-[3-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-4-methoxyphenyl]-4-(3-thiophenyl)benzenesulfonamide IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-4-thiophen-3-ylbenzenesulfonamide Traditional Name: N-[3-[(3S,5R)-3,5-dimethylpiperazino]-4-methoxy-phenyl]-4-(3-thienyl)benzenesulfonamide Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S2/c1-16-13-26(14-17(2)24-16)22-12-20(6-9-23(22)29-3)25-31(27,28)21-7-4-18(5-8-21)19-10-11-30-15-19/h4-12,15-17,24-25H,13-14H2,1-3H3/t16-,17+