4-fluoranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-fluoranyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-fluoro-N-[3-(2-oxo-1-azepanyl)propyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-fluoro-N-[3-(2-ketoazepan-1-yl)propyl]-3-pyrrolidinosulfonyl-benzamide Formula: C20H28FN3O4S MolecularWeight: 425.517423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H28FN3O4S/c21-17-9-8-16(15-18(17)29(27,28)24-13-4-5-14-24)20(26)22-10-6-12-23-11-3-1-2-7-19(23)25/h8-9,15H,1-7,10-14H2,(H,22,26)