N-[(S)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(S)-cyano-(4-fluorophenyl)methyl]-3-pyrrolidinosulfonyl-benzamide Formula: C19H18FN3O3S MolecularWeight: 387.427923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC(C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H](C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O3S/c20-16-8-6-14(7-9-16)18(13-21)22-19(24)15-4-3-5-17(12-15)27(25,26)23-10-1-2-11-23/h3-9,12,18H,1-2,10-11H2,(H,22,24)/t18-/m1/s1