3-phenylpropyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 3-phenylpropyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 3-phenylpropyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid 3-phenylpropyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO4S/c23-21(26-17-7-10-18-8-3-1-4-9-18)19-11-13-20(14-12-19)27(24,25)22-15-5-2-6-16-22/h1,3-4,8-9,11-14H,2,5-7,10,15-17H2