ethyl 1-[3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-methyl-2-[[(E)-styryl]sulfonylamino]butanoyl]piperidine-4-carboxylate CAS Name: 1-[3-methyl-1-oxo-2-[[(E)-2-phenylethenyl]sulfonylamino]butyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-methyl-2-[[(E)-styryl]sulfonylamino]butanoyl]isonipecotic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C(C)C)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5S/c1-4-28-21(25)18-10-13-23(14-11-18)20(24)19(16(2)3)22-29(26,27)15-12-17-8-6-5-7-9-17/h5-9,12,15-16,18-19,22H,4,10-11,13-14H2,1-3H3/b15-12+