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

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloranyl-2-cyano-phenyl)urea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloro-2-cyano-phenyl)urea CAS Name: 1-[3-(1-azepanylsulfonyl)phenyl]-3-(4-chloro-2-cyanophenyl)urea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloro-2-cyanophenyl)urea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-chloro-2-cyano-phenyl)urea Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=C(C=C(C=C3)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NC3=C(C=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H21ClN4O3S/c21-16-8-9-19(15(12-16)14-22)24-20(26)23-17-6-5-7-18(13-17)29(27,28)25-10-3-1-2-4-11-25/h5-9,12-13H,1-4,10-11H2,(H2,23,24,26)