N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-methoxy-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-[(4-fluorophenyl)thio]propyl]-4-methoxy-3-pyrrolidinosulfonyl-benzamide Formula: C21H25FN2O4S2 MolecularWeight: 452.562603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCCCSC2=CC=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCCCSC2=CC=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25FN2O4S2/c1-28-19-10-5-16(15-20(19)30(26,27)24-12-2-3-13-24)21(25)23-11-4-14-29-18-8-6-17(22)7-9-18/h5-10,15H,2-4,11-14H2,1H3,(H,23,25)