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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[(4-piperidin-1-ylsulfonylphenyl)amino]prop-2-enal Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[4-(1-piperidylsulfonyl)anilino]prop-2-enal CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-3-[4-(1-piperidinylsulfonyl)anilino]-2-propenal IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(4-piperidin-1-ylsulfonylanilino)prop-2-enal Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-3-(4-piperidinosulfonylanilino)acrolein Formula: C21H21N3O4S MolecularWeight: 411.47414

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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=CC=CC=C4O3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N/C=C(/C=O)\C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c25-15-16(21-23-19-6-2-3-7-20(19)28-21)14-22-17-8-10-18(11-9-17)29(26,27)24-12-4-1-5-13-24/h2-3,6-11,14-15,22H,1,4-5,12-13H2/b16-14-