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

Systemtic Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-5-phenyl-thiophene-2-sulfonamide Openeye Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxy-phenyl]-5-phenyl-thiophene-2-sulfonamide CAS Name: N-[3-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-4-methoxyphenyl]-5-phenyl-2-thiophenesulfonamide IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-phenylthiophene-2-sulfonamide Traditional Name: N-[3-[(3S,5R)-3,5-dimethylpiperazino]-4-methoxy-phenyl]-5-phenyl-thiophene-2-sulfonamide 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(S3)C4=CC=CC=C4)OC

Isomeric SMILES

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

InChI

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