1-(2-dimethylaminoethyl)-3-(3-ethanoylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]urea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-(3-ethanoylphenyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]urea Openeye Name: 3-(3-acetylphenyl)-1-(2-dimethylaminoethyl)-1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidyl]urea CAS Name: 3-(3-acetylphenyl)-1-(2-dimethylaminoethyl)-1-[1-[(2-methylsulfonylphenyl)methyl]-4-piperidinyl]urea IUPAC Name: 3-(3-acetylphenyl)-1-(2-dimethylaminoethyl)-1-[1-[(2-methylsulfonylphenyl)methyl]piperidin-4-yl]urea Traditional Name: 3-(3-acetylphenyl)-1-(2-dimethylaminoethyl)-1-[1-(2-mesylbenzyl)-4-piperidyl]urea Formula: C26H36N4O4S MolecularWeight: 500.65344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CCN(C)C)C2CCN(CC2)CC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CCN(C)C)C2CCN(CC2)CC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C26H36N4O4S/c1-20(31)21-9-7-10-23(18-21)27-26(32)30(17-16-28(2)3)24-12-14-29(15-13-24)19-22-8-5-6-11-25(22)35(4,33)34/h5-11,18,24H,12-17,19H2,1-4H3,(H,27,32)