methyl 4-[[4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonylamino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonylamino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[cyclopropylmethyl-(3-methoxyphenyl)sulfonyl-amino]piperidino]methyl]benzoic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N(CC2CC2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N(CC2CC2)C3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H32N2O5S/c1-31-23-4-3-5-24(16-23)33(29,30)27(18-20-6-7-20)22-12-14-26(15-13-22)17-19-8-10-21(11-9-19)25(28)32-2/h3-5,8-11,16,20,22H,6-7,12-15,17-18H2,1-2H3