1-(2-methylquinolin-4-yl)-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(1-naphthylsulfonyl)piperazin-1-yl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-[4-(1-naphthalenylsulfonyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(1-naphthylsulfonyl)piperazino]ethyl]urea Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N5O3S/c1-20-19-25(23-10-4-5-11-24(23)29-20)30-27(33)28-13-14-31-15-17-32(18-16-31)36(34,35)26-12-6-8-21-7-2-3-9-22(21)26/h2-12,19H,13-18H2,1H3,(H2,28,29,30,33)