carbonic acid; 4-chloranyl-N-[(E)-1-phenyl-7-pyridin-3-yl-hept-6-enyl]benzenesulfonamide

Systemtic Name: carbonic acid; 4-chloranyl-N-[(E)-1-phenyl-7-pyridin-3-yl-hept-6-enyl]benzenesulfonamide Openeye Name: carbonic acid; 4-chloro-N-[(E)-1-phenyl-7-(3-pyridyl)hept-6-enyl]benzenesulfonamide CAS Name: carbonic acid; 4-chloro-N-[(E)-1-phenyl-7-(3-pyridinyl)hept-6-enyl]benzenesulfonamide IUPAC Name: carbonic acid; 4-chloro-N-[(E)-1-phenyl-7-pyridin-3-ylhept-6-enyl]benzenesulfonamide Traditional Name: carbonic acid; 4-chloro-N-[(E)-1-phenyl-7-(3-pyridyl)hept-6-enyl]benzenesulfonamide Formula: C25H27ClN2O5S MolecularWeight: 503.01028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCCC=CC2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCCC/C=C/C2=CN=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl.C(=O)(O)O

InChI

InChI=1S/C24H25ClN2O2S.CH2O3/c25-22-14-16-23(17-15-22)30(28,29)27-24(21-11-5-3-6-12-21)13-7-2-1-4-9-20-10-8-18-26-19-20;2-1(3)4/h3-6,8-12,14-19,24,27H,1-2,7,13H2;(H2,2,3,4)/b9-4+;