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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H33N3O5S MolecularWeight: 451.57952

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S/c1-17(22(27)24-13-5-3-4-6-14-24)23-21(26)18-11-15-25(16-12-18)31(28,29)20-9-7-19(30-2)8-10-20/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,26)/t17-/m0/s1