1-methyl-3-(6-phenylpyridin-3-yl)-1-(1-propylsulfonylpiperidin-4-yl)urea

Systemtic Name: 1-methyl-3-(6-phenylpyridin-3-yl)-1-(1-propylsulfonylpiperidin-4-yl)urea Openeye Name: 1-methyl-3-(6-phenyl-3-pyridyl)-1-(1-propylsulfonyl-4-piperidyl)urea CAS Name: 1-methyl-3-(6-phenyl-3-pyridinyl)-1-(1-propylsulfonyl-4-piperidinyl)urea IUPAC Name: 1-methyl-3-(6-phenylpyridin-3-yl)-1-(1-propylsulfonylpiperidin-4-yl)urea Traditional Name: 1-methyl-3-(6-phenyl-3-pyridyl)-1-(1-propylsulfonyl-4-piperidyl)urea Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC(CC1)N(C)C(=O)NC2=CN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC(CC1)N(C)C(=O)NC2=CN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O3S/c1-3-15-29(27,28)25-13-11-19(12-14-25)24(2)21(26)23-18-9-10-20(22-16-18)17-7-5-4-6-8-17/h4-10,16,19H,3,11-15H2,1-2H3,(H,23,26)