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

Systemtic Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-ethoxy-phenyl]-5-pyridin-2-yl-thiophene-2-sulfonamide Openeye Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-ethoxy-phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide CAS Name: N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-ethoxyphenyl]-5-(2-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-ethoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide Traditional Name: N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-ethoxy-phenyl]-5-(2-pyridyl)thiophene-2-sulfonamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N2CC(NC(C2)C)C)NS(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4

Isomeric SMILES

CCOC1=C(C=C(C=C1)N2C[C@H](N[C@H](C2)C)C)NS(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4

InChI

InChI=1S/C23H28N4O3S2/c1-4-30-21-9-8-18(27-14-16(2)25-17(3)15-27)13-20(21)26-32(28,29)23-11-10-22(31-23)19-7-5-6-12-24-19/h5-13,16-17,25-26H,4,14-15H2,1-3H3/t16-,17+