methyl 4-[[4-[cyclopropylmethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[cyclopropylmethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[cyclopropylmethyl(2-thienylsulfonyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[cyclopropylmethyl(thiophen-2-ylsulfonyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[cyclopropylmethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[cyclopropylmethyl(2-thienylsulfonyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N2O4S2/c1-28-22(25)19-8-6-17(7-9-19)15-23-12-10-20(11-13-23)24(16-18-4-5-18)30(26,27)21-3-2-14-29-21/h2-3,6-9,14,18,20H,4-5,10-13,15-16H2,1H3