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

Systemtic Name: (E)-2-(5-chloranyl-1,3-benzoxazol-2-yl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]prop-2-enal Openeye Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(1-piperidylsulfonyl)anilino]prop-2-enal CAS Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-[4-(1-piperidinylsulfonyl)anilino]-2-propenal IUPAC Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(4-piperidin-1-ylsulfonylanilino)prop-2-enal Traditional Name: (E)-2-(5-chloro-1,3-benzoxazol-2-yl)-3-(4-piperidinosulfonylanilino)acrolein Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c22-16-4-9-20-19(12-16)24-21(29-20)15(14-26)13-23-17-5-7-18(8-6-17)30(27,28)25-10-2-1-3-11-25/h4-9,12-14,23H,1-3,10-11H2/b15-13-