N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-methyl-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-1-(azepane-1-carbonyl)-2-methyl-propyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C23H34FN3O4S MolecularWeight: 467.597163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34FN3O4S/c1-17(2)21(23(29)26-13-5-3-4-6-14-26)25-22(28)18-11-15-27(16-12-18)32(30,31)20-9-7-19(24)8-10-20/h7-10,17-18,21H,3-6,11-16H2,1-2H3,(H,25,28)/t21-/m0/s1