methyl 4-[[4-[2-dimethylaminoethyl-(3-methylsulfonylphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-dimethylaminoethyl-(3-methylsulfonylphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-dimethylaminoethyl-(3-methylsulfonylphenyl)sulfonyl-amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-dimethylaminoethyl-(3-methylsulfonylphenyl)sulfonylamino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-dimethylaminoethyl-(3-methylsulfonylphenyl)sulfonylamino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-dimethylaminoethyl-(3-mesylphenyl)sulfonyl-amino]piperidino]methyl]benzoic acid methyl ester Formula: C25H35N3O6S2 MolecularWeight: 537.6919

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

Isomeric SMILES

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C

InChI

InChI=1S/C25H35N3O6S2/c1-26(2)16-17-28(36(32,33)24-7-5-6-23(18-24)35(4,30)31)22-12-14-27(15-13-22)19-20-8-10-21(11-9-20)25(29)34-3/h5-11,18,22H,12-17,19H2,1-4H3