1-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)urea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)urea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-(p-tolylsulfonyl)-1-(4-pyridylmethyl)urea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(4-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)urea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-(4-methylphenyl)sulfonyl-1-(pyridin-4-ylmethyl)urea Traditional Name: 1-(3-imidazol-1-ylpropyl)-1-(4-pyridylmethyl)-3-tosyl-urea Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCCN2C=CN=C2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N(CCCN2C=CN=C2)CC3=CC=NC=C3

InChI

InChI=1S/C20H23N5O3S/c1-17-3-5-19(6-4-17)29(27,28)23-20(26)25(15-18-7-9-21-10-8-18)13-2-12-24-14-11-22-16-24/h3-11,14,16H,2,12-13,15H2,1H3,(H,23,26)