1-(phenylsulfonyl)-3-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]urea

Systemtic Name: 1-(phenylsulfonyl)-3-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]urea Openeye Name: 1-(benzenesulfonyl)-3-[4-[1-methyl-2-(4-pyridyl)ethyl]phenyl]urea CAS Name: 1-(benzenesulfonyl)-3-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]urea IUPAC Name: 1-(benzenesulfonyl)-3-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]urea Traditional Name: 1-besyl-3-[4-[1-methyl-2-(4-pyridyl)ethyl]phenyl]urea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-16(15-17-11-13-22-14-12-17)18-7-9-19(10-8-18)23-21(25)24-28(26,27)20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H2,23,24,25)