N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C21H30FN3O4S MolecularWeight: 439.544003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H30FN3O4S/c1-16(21(27)24-12-4-2-3-5-13-24)23-20(26)17-10-14-25(15-11-17)30(28,29)19-8-6-18(22)7-9-19/h6-9,16-17H,2-5,10-15H2,1H3,(H,23,26)/t16-/m0/s1