N-[4-(cyclopropylcarbamoyl)phenyl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(cyclopropylcarbamoyl)phenyl]-4-fluoranyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[4-[(cyclopropylamino)-oxomethyl]phenyl]-4-fluoro-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[4-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(cyclopropylcarbamoyl)phenyl]-4-fluoro-3-pyrrolidinosulfonyl-benzamide Formula: C21H22FN3O4S MolecularWeight: 431.480483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4CC4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4CC4)F

InChI

InChI=1S/C21H22FN3O4S/c22-18-10-5-15(13-19(18)30(28,29)25-11-1-2-12-25)21(27)24-16-6-3-14(4-7-16)20(26)23-17-8-9-17/h3-7,10,13,17H,1-2,8-9,11-12H2,(H,23,26)(H,24,27)