4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]butyramide Formula: C21H28FN3O3S2 MolecularWeight: 453.593723

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NCC(C1=CC=CS1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)NCC(C1=CC=CS1)N2CCCC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN3O3S2/c1-24(30(27,28)18-10-8-17(22)9-11-18)12-4-7-21(26)23-16-19(20-6-5-15-29-20)25-13-2-3-14-25/h5-6,8-11,15,19H,2-4,7,12-14,16H2,1H3,(H,23,26)