1-(3-methylphenyl)-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-(m-tolyl)-3-[6-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-(3-methylphenyl)-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[6-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-(m-tolyl)-3-[6-(4-tosyl-1,4-diazepan-1-yl)-3-pyridyl]urea Formula: C25H29N5O3S MolecularWeight: 479.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C25H29N5O3S/c1-19-7-10-23(11-8-19)34(32,33)30-14-4-13-29(15-16-30)24-12-9-22(18-26-24)28-25(31)27-21-6-3-5-20(2)17-21/h3,5-12,17-18H,4,13-16H2,1-2H3,(H2,27,28,31)