1-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methyl-amino]ethyl]-1-isoquinolin-5-ylsulfonyl-urea

Systemtic Name: 1-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methyl-amino]ethyl]-1-isoquinolin-5-ylsulfonyl-urea Openeye Name: 1-[2-[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]ethyl]-1-(5-isoquinolylsulfonyl)urea CAS Name: 1-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]ethyl]-1-(5-isoquinolinylsulfonyl)urea IUPAC Name: 1-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]ethyl]-1-isoquinolin-5-ylsulfonylurea Traditional Name: 1-[2-[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]ethyl]-1-(5-isoquinolylsulfonyl)urea Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C(=O)N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2)CC=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CCN(C(=O)N)S(=O)(=O)C1=CC=CC2=C1C=CN=C2)C/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-26(13-3-4-17-7-9-19(23)10-8-17)14-15-27(22(24)28)31(29,30)21-6-2-5-18-16-25-12-11-20(18)21/h2-12,16H,13-15H2,1H3,(H2,24,28)/b4-3+