N-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(E)-[3-(4-fluorophenyl)carbonyl-2-methyl-indolizin-1-yl]methylideneamino]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(E)-[3-[(4-fluorophenyl)-oxomethyl]-2-methyl-1-indolizinyl]methylideneamino]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(E)-[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(E)-[3-(4-fluorobenzoyl)-2-methyl-indolizin-1-yl]methyleneamino]-3-piperidinosulfonyl-benzamide Formula: C29H27FN4O4S MolecularWeight: 546.612483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1C=NNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1/C=N/NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27FN4O4S/c1-20-25(26-10-3-6-17-34(26)27(20)28(35)21-11-13-23(30)14-12-21)19-31-32-29(36)22-8-7-9-24(18-22)39(37,38)33-15-4-2-5-16-33/h3,6-14,17-19H,2,4-5,15-16H2,1H3,(H,32,36)/b31-19+