(Z)-2-(1,3-benzoxazol-2-yl)-3-[(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enal

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-[(2-methoxy-4-piperidin-1-ylsulfonyl-phenyl)amino]prop-2-enal Openeye Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-[2-methoxy-4-(1-piperidylsulfonyl)anilino]prop-2-enal CAS Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-[2-methoxy-4-(1-piperidinylsulfonyl)anilino]-2-propenal IUPAC Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-methoxy-4-piperidin-1-ylsulfonylanilino)prop-2-enal Traditional Name: (Z)-2-(1,3-benzoxazol-2-yl)-3-(2-methoxy-4-piperidinosulfonyl-anilino)acrolein Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)NC=C(C=O)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N/C=C(\C=O)/C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H23N3O5S/c1-29-21-13-17(31(27,28)25-11-5-2-6-12-25)9-10-18(21)23-14-16(15-26)22-24-19-7-3-4-8-20(19)30-22/h3-4,7-10,13-15,23H,2,5-6,11-12H2,1H3/b16-14+