methyl 4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzoate CAS Name: 4-[[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzoate Traditional Name: 4-[(4-pyrrolidinosulfonylpiperazino)methyl]benzoic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H25N3O4S/c1-24-17(21)16-6-4-15(5-7-16)14-18-10-12-20(13-11-18)25(22,23)19-8-2-3-9-19/h4-7H,2-3,8-14H2,1H3