[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 4-(1-piperidyl)-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)benzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidino-3-piperidinosulfonyl-benzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H37N3O5S/c1-19(24(29)26-21-10-4-5-11-21)33-25(30)20-12-13-22(27-14-6-2-7-15-27)23(18-20)34(31,32)28-16-8-3-9-17-28/h12-13,18-19,21H,2-11,14-17H2,1H3,(H,26,29)