1-(2-methylquinolin-4-yl)-3-[2-[4-[(2-methylsulfonylphenyl)sulfonylamino]piperidin-1-yl]ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-[(2-methylsulfonylphenyl)sulfonylamino]piperidin-1-yl]ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-[(2-methylsulfonylphenyl)sulfonylamino]-1-piperidyl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-[(2-methylsulfonylphenyl)sulfonylamino]-1-piperidinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-[4-[(2-methylsulfonylphenyl)sulfonylamino]piperidin-1-yl]ethyl]urea Traditional Name: 1-[2-[4-[(2-mesylphenyl)sulfonylamino]piperidino]ethyl]-3-(2-methyl-4-quinolyl)urea Formula: C25H31N5O5S2 MolecularWeight: 545.67414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCC(CC3)NS(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C25H31N5O5S2/c1-18-17-22(20-7-3-4-8-21(20)27-18)28-25(31)26-13-16-30-14-11-19(12-15-30)29-37(34,35)24-10-6-5-9-23(24)36(2,32)33/h3-10,17,19,29H,11-16H2,1-2H3,(H2,26,27,28,31)