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

Systemtic Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-5-(2-ethoxyphenyl)thiophene-2-sulfonamide Openeye Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxy-phenyl]-5-(2-ethoxyphenyl)thiophene-2-sulfonamide CAS Name: N-[5-[(3R,5S)-3,5-dimethyl-1-piperazinyl]-2-methoxyphenyl]-5-(2-ethoxyphenyl)-2-thiophenesulfonamide IUPAC Name: N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-5-(2-ethoxyphenyl)thiophene-2-sulfonamide Traditional Name: N-[5-[(3R,5S)-3,5-dimethylpiperazino]-2-methoxy-phenyl]-5-o-phenetyl-thiophene-2-sulfonamide Formula: C25H31N3O4S2 MolecularWeight: 501.66134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=CC=C(S2)S(=O)(=O)NC3=C(C=CC(=C3)N4CC(NC(C4)C)C)OC

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC=C(S2)S(=O)(=O)NC3=C(C=CC(=C3)N4C[C@H](N[C@H](C4)C)C)OC

InChI

InChI=1S/C25H31N3O4S2/c1-5-32-22-9-7-6-8-20(22)24-12-13-25(33-24)34(29,30)27-21-14-19(10-11-23(21)31-4)28-15-17(2)26-18(3)16-28/h6-14,17-18,26-27H,5,15-16H2,1-4H3/t17-,18+