ethyl 4-(cyclopropylmethyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[(E)-styryl]sulfonyl-isonipecotic acid ethyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)CC3CC3

InChI

InChI=1S/C20H27NO4S/c1-2-25-19(22)20(16-18-8-9-18)11-13-21(14-12-20)26(23,24)15-10-17-6-4-3-5-7-17/h3-7,10,15,18H,2,8-9,11-14,16H2,1H3/b15-10+