(Z)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]prop-2-enenitrile

Systemtic Name: (Z)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]prop-2-enenitrile Openeye Name: (Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(1-piperidylsulfonyl)anilino]prop-2-enenitrile CAS Name: (Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(1-piperidinylsulfonyl)anilino]-2-propenenitrile IUPAC Name: (Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(4-piperidin-1-ylsulfonylanilino)prop-2-enenitrile Traditional Name: (Z)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(4-piperidinosulfonylanilino)acrylonitrile Formula: C21H19ClN4O3S MolecularWeight: 442.91856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC=C(C#N)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N/C=C(/C#N)\C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H19ClN4O3S/c22-16-4-9-20-19(12-16)25-21(29-20)15(13-23)14-24-17-5-7-18(8-6-17)30(27,28)26-10-2-1-3-11-26/h4-9,12,14,24H,1-3,10-11H2/b15-14-