N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3-(phenylthio)propyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-phenylsulfanylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(phenylthio)propyl]-4-pyrrolidinosulfonyl-benzamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O3S2/c23-20(21-13-6-16-26-18-7-2-1-3-8-18)17-9-11-19(12-10-17)27(24,25)22-14-4-5-15-22/h1-3,7-12H,4-6,13-16H2,(H,21,23)