3-cyanopropyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 3-cyanopropyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 3-cyanopropyl 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid 3-cyanopropyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC#N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC#N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H29N3O4S/c22-11-3-8-16-28-21(25)18-9-10-19(23-12-4-1-5-13-23)20(17-18)29(26,27)24-14-6-2-7-15-24/h9-10,17H,1-8,12-16H2