[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl] ester Formula: C23H34N2O6S MolecularWeight: 466.59086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H34N2O6S/c1-17-10-14-24(15-11-17)22(26)18(2)31-23(27)20-16-19(8-9-21(20)30-3)32(28,29)25-12-6-4-5-7-13-25/h8-9,16-18H,4-7,10-15H2,1-3H3/t18-/m0/s1