methyl 4-[[4-[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-furylmethyl(8-quinolylsulfonyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-furanylmethyl(8-quinolinylsulfonyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[furan-2-ylmethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-furfuryl(8-quinolylsulfonyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCC(CC2)N(CC3=CC=CO3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H29N3O5S/c1-35-28(32)23-11-9-21(10-12-23)19-30-16-13-24(14-17-30)31(20-25-7-4-18-36-25)37(33,34)26-8-2-5-22-6-3-15-29-27(22)26/h2-12,15,18,24H,13-14,16-17,19-20H2,1H3