N-[(E)-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(E)-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(E)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]methyleneamino]-3-piperidinosulfonyl-benzamide Formula: C31H27N5O5S MolecularWeight: 581.64158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NN=CC3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N/N=C/C3=CN(N=C3C4=CC5=CC=CC=C5OC4=O)C6=CC=CC=C6

InChI

InChI=1S/C31H27N5O5S/c37-30(23-11-9-14-26(18-23)42(39,40)35-16-7-2-8-17-35)33-32-20-24-21-36(25-12-3-1-4-13-25)34-29(24)27-19-22-10-5-6-15-28(22)41-31(27)38/h1,3-6,9-15,18-21H,2,7-8,16-17H2,(H,33,37)/b32-20+