1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chloranyl-2-cyano-phenyl)urea

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chloranyl-2-cyano-phenyl)urea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chloro-2-cyano-phenyl)urea CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-chloro-2-cyanophenyl)urea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-chloro-2-cyanophenyl)urea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(4-chloro-2-cyano-phenyl)urea Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Cl)C#N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Cl)C#N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23ClN4O3S/c1-15-6-8-18(13-20(15)30(28,29)26-10-4-2-3-5-11-26)24-21(27)25-19-9-7-17(22)12-16(19)14-23/h6-9,12-13H,2-5,10-11H2,1H3,(H2,24,25,27)