methyl 3-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[(1-ethylsulfonylpiperidin-4-yl)carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[(1-ethylsulfonyl-4-piperidinyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(1-esylisonipecotoyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

InChI

InChI=1S/C20H29N3O5S/c1-3-29(26,27)23-12-8-15(9-13-23)19(24)21-17-14-16(20(25)28-2)6-7-18(17)22-10-4-5-11-22/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,21,24)