ethyl 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(cyclopropylmethyl)-4-(4-phenoxyphenyl)sulfonyl-isonipecotic acid ethyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2CC2)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H29NO5S/c1-2-29-23(26)24(14-16-25(17-15-24)18-19-8-9-19)31(27,28)22-12-10-21(11-13-22)30-20-6-4-3-5-7-20/h3-7,10-13,19H,2,8-9,14-18H2,1H3