methyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4)C

InChI

InChI=1S/C26H33N3O5S/c1-18-6-8-22(16-19(18)2)35(32,33)29-14-10-20(11-15-29)25(30)27-23-17-21(26(31)34-3)7-9-24(23)28-12-4-5-13-28/h6-9,16-17,20H,4-5,10-15H2,1-3H3,(H,27,30)