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

Systemtic Name: methyl 4-[[4-[2-dimethylaminoethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-dimethylaminoethyl(2-thienylsulfonyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-dimethylaminoethyl(thiophen-2-ylsulfonyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-dimethylaminoethyl(thiophen-2-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-dimethylaminoethyl(2-thienylsulfonyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C22H31N3O4S2 MolecularWeight: 465.62924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(C)CCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H31N3O4S2/c1-23(2)14-15-25(31(27,28)21-5-4-16-30-21)20-10-12-24(13-11-20)17-18-6-8-19(9-7-18)22(26)29-3/h4-9,16,20H,10-15,17H2,1-3H3